1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole

C25H26N2 — CID 17000629

IUPAC1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H26N2/c1-18-9-5-6-10-21(18)24-26-22-11-7-8-12-23(22)27(24)17-19-13-15-20(16-14-19)25(2,3)4/h5-16H,17H2,1-4H3
InChIKeyYUAOTTHHKDEWME-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.36
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole

1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole (PubChem CID 17000629) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
PubChem CID17000629
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H26N2/c1-18-9-5-6-10-21(18)24-26-22-11-7-8-12-23(22)27(24)17-19-13-15-20(16-14-19)25(2,3)4/h5-16H,17H2,1-4H3
InChIKeyYUAOTTHHKDEWME-UHFFFAOYSA-N
XLogP6.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole 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

[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole (CID 17000629) is 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole is Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The InChIKey is YUAOTTHHKDEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-18-9-5-6-10-21(18)24-26-22-11-7-8-12-23(22)27(24)17-19-13-15-20(16-14-19)25(2,3)4/h5-16H,17H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole has a molecular weight of 354.50 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).