2O0

3-(1H-benzimidazol-1-yl)propanamide

Created:	2013-12-12
Last modified:	2013-12-25

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1 entries where 2O0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of 2O0

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Chemical Component Summary
Name	3-(1H-benzimidazol-1-yl)propanamide
Systematic Name (OpenEye OEToolkits)	3-(benzimidazol-1-yl)propanamide
Formula	C₁₀ H₁₁ N₃ O
Molecular Weight	189.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)CCn1c2ccccc2nc1
SMILES	CACTVS	3.385	NC(=O)CCn1cnc2ccccc12
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ncn2CCC(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)CCn1cnc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ncn2CCC(=O)N
InChI	InChI	1.03	InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)
InChIKey	InChI	1.03	UTOCMNYFMMLILL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	639428
ChEMBL	CHEMBL1895548

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.