5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole

C25H26N2 — CID 143996063

IUPAC5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1CCC(C)C
InChIInChI=1S/C25H26N2/c1-18(2)13-15-20-9-7-8-12-23(20)27-24-16-14-19(3)17-22(24)26-25(27)21-10-5-4-6-11-21/h4-12,14,16-18H,13,15H2,1-3H3
InChIKeyVERYURZAAKTOHD-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.59
Rot. Bonds5

About 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole

5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole (PubChem CID 143996063) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
PubChem CID143996063
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1CCC(C)C
InChIInChI=1S/C25H26N2/c1-18(2)13-15-20-9-7-8-12-23(20)27-24-16-14-19(3)17-22(24)26-25(27)21-10-5-4-6-11-21/h4-12,14,16-18H,13,15H2,1-3H3
InChIKeyVERYURZAAKTOHD-UHFFFAOYSA-N
XLogP6.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole 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

5-methyl-1,2-diphenylbenzimidazole
CID 45104351
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
CID 158707390
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
1-[2-(2,2-dimethylpropyl)-6-[4-[1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-phenylbenzimidazol-5-yl]-2,2-dimethylbutyl]phenyl]-5-methyl-2-phenylbenzimidazole
CID 90985376
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
CID 43660844
1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole
CID 160853102

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole (CID 143996063) is 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole is Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1CCC(C)C.
What is the InChIKey of 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole?
The InChIKey is VERYURZAAKTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-18(2)13-15-20-9-7-8-12-23(20)27-24-16-14-19(3)17-22(24)26-25(27)21-10-5-4-6-11-21/h4-12,14,16-18H,13,15H2,1-3H3.
What are the key properties of 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole?
5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole has a molecular weight of 354.50 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 143996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).