3-methyl-4-(2-methylbenzimidazol-1-yl)aniline

C15H15N3 — CID 82513326

IUPAC3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
SMILESCc1cc(N)ccc1-n1c(C)nc2ccccc21
InChIInChI=1S/C15H15N3/c1-10-9-12(16)7-8-14(10)18-11(2)17-13-5-3-4-6-15(13)18/h3-9H,16H2,1-2H3
InChIKeyLVTGAFIBIVNBLW-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.22
Rot. Bonds1

About 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline

3-methyl-4-(2-methylbenzimidazol-1-yl)aniline (PubChem CID 82513326) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
PubChem CID82513326
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
SMILESCc1cc(N)ccc1-n1c(C)nc2ccccc21
InChIInChI=1S/C15H15N3/c1-10-9-12(16)7-8-14(10)18-11(2)17-13-5-3-4-6-15(13)18/h3-9H,16H2,1-2H3
InChIKeyLVTGAFIBIVNBLW-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.22
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

1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
CID 55080364
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
CID 162427993
1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
CID 79752931
1-(4-bromo-2,6-dimethylphenyl)-2-methylbenzimidazol-5-amine
CID 65499671
2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 82513889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline?
The IUPAC name of 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline (CID 82513326) is 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline?
The canonical SMILES for 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline is Cc1cc(N)ccc1-n1c(C)nc2ccccc21.
What is the InChIKey of 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline?
The InChIKey is LVTGAFIBIVNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-9-12(16)7-8-14(10)18-11(2)17-13-5-3-4-6-15(13)18/h3-9H,16H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline?
3-methyl-4-(2-methylbenzimidazol-1-yl)aniline has a molecular weight of 237.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylbenzimidazol-1-yl)aniline is sourced from PubChem (CID 82513326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).