4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline

C24H25N3 — CID 92635779

IUPAC4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline
SMILESCc1cc2nc(-c3ccc(N)cc3)n(CCCc3ccccc3)c2cc1C
InChIInChI=1S/C24H25N3/c1-17-15-22-23(16-18(17)2)27(14-6-9-19-7-4-3-5-8-19)24(26-22)20-10-12-21(25)13-11-20/h3-5,7-8,10-13,15-16H,6,9,14,25H2,1-2H3
InChIKeyLADJWWFKKQUPFC-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.54
Rot. Bonds5

About 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline

4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline (PubChem CID 92635779) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline
PubChem CID92635779
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline
SMILESCc1cc2nc(-c3ccc(N)cc3)n(CCCc3ccccc3)c2cc1C
InChIInChI=1S/C24H25N3/c1-17-15-22-23(16-18(17)2)27(14-6-9-19-7-4-3-5-8-19)24(26-22)20-10-12-21(25)13-11-20/h3-5,7-8,10-13,15-16H,6,9,14,25H2,1-2H3
InChIKeyLADJWWFKKQUPFC-UHFFFAOYSA-N
XLogP5.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline?
The IUPAC name of 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline (CID 92635779) is 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline.
What is the SMILES notation for 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline?
The canonical SMILES for 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline is Cc1cc2nc(-c3ccc(N)cc3)n(CCCc3ccccc3)c2cc1C.
What is the InChIKey of 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline?
The InChIKey is LADJWWFKKQUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-17-15-22-23(16-18(17)2)27(14-6-9-19-7-4-3-5-8-19)24(26-22)20-10-12-21(25)13-11-20/h3-5,7-8,10-13,15-16H,6,9,14,25H2,1-2H3.
What are the key properties of 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline?
4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline has a molecular weight of 355.49 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline is sourced from PubChem (CID 92635779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).