A1H0T

1-[4,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine

Created:	2023-12-18
Last modified:	2024-11-20

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	10

2D diagram of A1H0T

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Chemical Component Summary
Name	1-[4,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine
Systematic Name (OpenEye OEToolkits)	1-[4,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine
Formula	C₈ H₇ Cl₂ N₅
Molecular Weight	244.081
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=N)Nc1[nH]c2cc(Cl)cc(Cl)c2n1
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(c2c1[nH]c(n2)NC(=N)N)Cl)Cl
Canonical SMILES	CACTVS	3.385	NC(=N)Nc1[nH]c2cc(Cl)cc(Cl)c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\N)/Nc1[nH]c2cc(cc(c2n1)Cl)Cl
InChI	InChI	1.06	InChI=1S/C8H7Cl2N5/c9-3-1-4(10)6-5(2-3)13-8(14-6)15-7(11)12/h1-2H,(H5,11,12,13,14,15)
InChIKey	InChI	1.06	OGKMGWPIDIMCSH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19017776

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.