[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine

C15H14ClN3 — CID 104713110

IUPAC[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2cccc(Cl)c2)nc2ccc(CN)cc21
InChIInChI=1S/C15H14ClN3/c1-19-14-7-10(9-17)5-6-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,9,17H2,1H3
InChIKeyIBLUNHFCRVPXPR-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.35
Rot. Bonds2

About [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine

[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 104713110) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
PubChem CID104713110
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2cccc(Cl)c2)nc2ccc(CN)cc21
InChIInChI=1S/C15H14ClN3/c1-19-14-7-10(9-17)5-6-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,9,17H2,1H3
InChIKeyIBLUNHFCRVPXPR-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713172
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[3-methyl-2-(2-methyl-4-pyridinyl)benzimidazol-5-yl]methanamine
CID 106754392
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
CID 104712925
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
CID 113444392
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
CID 113444368
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine (CID 104713110) is [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine is Cn1c(-c2cccc(Cl)c2)nc2ccc(CN)cc21.
What is the InChIKey of [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is IBLUNHFCRVPXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19-14-7-10(9-17)5-6-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,9,17H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 271.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).