7-chlorobenzimidazole-1,2-diamine

C7H7ClN4 — CID 84618531

IUPAC7-chlorobenzimidazole-1,2-diamine
SMILESNc1nc2cccc(Cl)c2n1N
InChIInChI=1S/C7H7ClN4/c8-4-2-1-3-5-6(4)12(10)7(9)11-5/h1-3H,10H2,(H2,9,11)
InChIKeyCPBOVHGYJRYLRJ-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.99
Rot. Bonds

About 7-chlorobenzimidazole-1,2-diamine

7-chlorobenzimidazole-1,2-diamine (PubChem CID 84618531) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chlorobenzimidazole-1,2-diamine.

Molecular Properties

Compound Name7-chlorobenzimidazole-1,2-diamine
PubChem CID84618531
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name7-chlorobenzimidazole-1,2-diamine
SMILESNc1nc2cccc(Cl)c2n1N
InChIInChI=1S/C7H7ClN4/c8-4-2-1-3-5-6(4)12(10)7(9)11-5/h1-3H,10H2,(H2,9,11)
InChIKeyCPBOVHGYJRYLRJ-UHFFFAOYSA-N
XLogP0.99
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897

Frequently Asked Questions

What is the IUPAC name of 7-chlorobenzimidazole-1,2-diamine?
The IUPAC name of 7-chlorobenzimidazole-1,2-diamine (CID 84618531) is 7-chlorobenzimidazole-1,2-diamine.
What is the SMILES notation for 7-chlorobenzimidazole-1,2-diamine?
The canonical SMILES for 7-chlorobenzimidazole-1,2-diamine is Nc1nc2cccc(Cl)c2n1N.
What is the InChIKey of 7-chlorobenzimidazole-1,2-diamine?
The InChIKey is CPBOVHGYJRYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c8-4-2-1-3-5-6(4)12(10)7(9)11-5/h1-3H,10H2,(H2,9,11).
What are the key properties of 7-chlorobenzimidazole-1,2-diamine?
7-chlorobenzimidazole-1,2-diamine has a molecular weight of 182.61 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorobenzimidazole-1,2-diamine is sourced from PubChem (CID 84618531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).