3-(benzimidazol-1-yl)-4-methylaniline

C14H13N3 — CID 82512834

IUPAC3-(benzimidazol-1-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H13N3/c1-10-6-7-11(15)8-14(10)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3
InChIKeyPPLSLSJTIOFSBG-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.92
Rot. Bonds1

About 3-(benzimidazol-1-yl)-4-methylaniline

3-(benzimidazol-1-yl)-4-methylaniline (PubChem CID 82512834) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-4-methylaniline
PubChem CID82512834
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(benzimidazol-1-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H13N3/c1-10-6-7-11(15)8-14(10)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3
InChIKeyPPLSLSJTIOFSBG-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.92
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

2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
1-(2-ethylphenyl)benzimidazole
CID 22078308
2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine
CID 63816406
6-(benzimidazol-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555245
4-(benzimidazol-1-yl)pyridin-3-amine
CID 28890030
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
CID 174453392
[2-(benzimidazol-1-yl)-5-methylphenyl]methanol
CID 114054526
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355
ethyl 3-amino-4-(benzimidazol-1-yl)benzoate
CID 61311135
4-methyl-3-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 82512204

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-4-methylaniline?
The IUPAC name of 3-(benzimidazol-1-yl)-4-methylaniline (CID 82512834) is 3-(benzimidazol-1-yl)-4-methylaniline.
What is the SMILES notation for 3-(benzimidazol-1-yl)-4-methylaniline?
The canonical SMILES for 3-(benzimidazol-1-yl)-4-methylaniline is Cc1ccc(N)cc1-n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-4-methylaniline?
The InChIKey is PPLSLSJTIOFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-6-7-11(15)8-14(10)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-4-methylaniline?
3-(benzimidazol-1-yl)-4-methylaniline has a molecular weight of 223.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-4-methylaniline is sourced from PubChem (CID 82512834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).