7-chloro-3H-benzimidazol-4-amine

C7H6ClN3 — CID 130049323

IUPAC7-chloro-3H-benzimidazol-4-amine
SMILESNc1ccc(Cl)c2nc[nH]c12
InChIInChI=1S/C7H6ClN3/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H,9H2,(H,10,11)
InChIKeyPGGOUGXXKSXHMV-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.80
Rot. Bonds

About 7-chloro-3H-benzimidazol-4-amine

7-chloro-3H-benzimidazol-4-amine (PubChem CID 130049323) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 7-chloro-3H-benzimidazol-4-amine.

Molecular Properties

Compound Name7-chloro-3H-benzimidazol-4-amine
PubChem CID130049323
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name7-chloro-3H-benzimidazol-4-amine
SMILESNc1ccc(Cl)c2nc[nH]c12
InChIInChI=1S/C7H6ClN3/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H,9H2,(H,10,11)
InChIKeyPGGOUGXXKSXHMV-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-chloro-3H-benzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-dichloro-1H-quinazoline-4-thione
CID 107051749
8-chloro-5-methyl-3H-quinazolin-4-one
CID 136862978
4,5-dichloroquinolin-8-amine
CID 19592780
8-amino-5-chloro-1H-quinolin-4-one
CID 155815463
4,7-dichloro-6-nitro-1H-benzimidazole
CID 95909581
6-chloro-4-fluoro-1H-benzimidazol-5-amine
CID 75412438
7-amino-5-methyl-3H-imidazo[4,5-c]pyridin-4-one
CID 84716966
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
5-chloro-1H-benzimidazole-4-carbonitrile
CID 129319161
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
CID 18785143
8-chloro-5-methyl-1H-quinazoline-4-thione
CID 106505701

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3H-benzimidazol-4-amine?
The IUPAC name of 7-chloro-3H-benzimidazol-4-amine (CID 130049323) is 7-chloro-3H-benzimidazol-4-amine.
What is the SMILES notation for 7-chloro-3H-benzimidazol-4-amine?
The canonical SMILES for 7-chloro-3H-benzimidazol-4-amine is Nc1ccc(Cl)c2nc[nH]c12.
What is the InChIKey of 7-chloro-3H-benzimidazol-4-amine?
The InChIKey is PGGOUGXXKSXHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H,9H2,(H,10,11).
What are the key properties of 7-chloro-3H-benzimidazol-4-amine?
7-chloro-3H-benzimidazol-4-amine has a molecular weight of 167.60 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3H-benzimidazol-4-amine is sourced from PubChem (CID 130049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).