2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine

C17H18ClN3 — CID 82145276

IUPAC2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)n(CCN)c2cc1C
InChIInChI=1S/C17H18ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyGHLJXRVKFCJXKJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.93
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine

2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine (PubChem CID 82145276) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
PubChem CID82145276
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)n(CCN)c2cc1C
InChIInChI=1S/C17H18ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyGHLJXRVKFCJXKJ-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanethioamide
CID 82149852
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 82145204
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine (CID 82145276) is 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine is Cc1cc2nc(-c3ccc(Cl)cc3)n(CCN)c2cc1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The InChIKey is GHLJXRVKFCJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8,19H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine?
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).