4-chloro-3-methylbenzimidazol-5-amine

C8H8ClN3 — CID 141167307

IUPAC4-chloro-3-methylbenzimidazol-5-amine
SMILESCn1cnc2ccc(N)c(Cl)c21
InChIInChI=1S/C8H8ClN3/c1-12-4-11-6-3-2-5(10)7(9)8(6)12/h2-4H,10H2,1H3
InChIKeyTYRDKOLCYGSCFP-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.81
Rot. Bonds

About 4-chloro-3-methylbenzimidazol-5-amine

4-chloro-3-methylbenzimidazol-5-amine (PubChem CID 141167307) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-3-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methylbenzimidazol-5-amine
PubChem CID141167307
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-3-methylbenzimidazol-5-amine
SMILESCn1cnc2ccc(N)c(Cl)c21
InChIInChI=1S/C8H8ClN3/c1-12-4-11-6-3-2-5(10)7(9)8(6)12/h2-4H,10H2,1H3
InChIKeyTYRDKOLCYGSCFP-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-7-chloro-1-methylbenzimidazole;7-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 159370190
1,6,7-trimethylbenzimidazole
CID 83449271
1,7-dimethylbenzimidazol-4-amine
CID 59319967
3-methylbenzimidazol-4-ol
CID 3771453
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile
CID 11543555
5-chloro-1-methylimidazol-4-amine
CID 23064494
6-chloro-3-methylbenzimidazole-4-carbaldehyde
CID 83879166
4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
CID 21083920
7-chloro-2-methylindazol-6-amine
CID 86100986
1,8-dimethylimidazo[4,5-h]isoquinolin-9-one
CID 141185724
6-(3-amino-2-chloro-6-fluorophenoxy)-5-fluoro-3-methylquinazolin-4-one;tert-butyl carbamate
CID 175428858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylbenzimidazol-5-amine?
The IUPAC name of 4-chloro-3-methylbenzimidazol-5-amine (CID 141167307) is 4-chloro-3-methylbenzimidazol-5-amine.
What is the SMILES notation for 4-chloro-3-methylbenzimidazol-5-amine?
The canonical SMILES for 4-chloro-3-methylbenzimidazol-5-amine is Cn1cnc2ccc(N)c(Cl)c21.
What is the InChIKey of 4-chloro-3-methylbenzimidazol-5-amine?
The InChIKey is TYRDKOLCYGSCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-4-11-6-3-2-5(10)7(9)8(6)12/h2-4H,10H2,1H3.
What are the key properties of 4-chloro-3-methylbenzimidazol-5-amine?
4-chloro-3-methylbenzimidazol-5-amine has a molecular weight of 181.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylbenzimidazol-5-amine is sourced from PubChem (CID 141167307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).