W0D

N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide

Created:	2020-09-24
Last modified:	2021-01-13

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2 entries where W0D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	15

2D diagram of W0D

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Chemical Component Summary
Name	N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(1~{H}-benzimidazol-2-ylmethyl)furan-2-carboxamide
Formula	C₁₃ H₁₁ N₃ O₂
Molecular Weight	241.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(CNC(=O)c1ccco1)nc3ccccc23
SMILES	CACTVS	3.385	O=C(NCc1[nH]c2ccccc2n1)c3occc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3
Canonical SMILES	CACTVS	3.385	O=C(NCc1[nH]c2ccccc2n1)c3occc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3
InChI	InChI	1.03	InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKey	InChI	1.03	WFEIYWNIMQWEHE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	659559
ChEMBL	CHEMBL1904688

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