2-[(4-methylphenyl)methyl]-1H-benzimidazole

C15H14N2 — CID 772158

IUPAC2-[(4-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2/c1-11-6-8-12(9-7-11)10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHULPJQXXYCPOHN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds2

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

2-[(4-methylphenyl)methyl]-1H-benzimidazole (PubChem CID 772158) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1H-benzimidazole
PubChem CID772158
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-[(4-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2/c1-11-6-8-12(9-7-11)10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHULPJQXXYCPOHN-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-methylphenyl)methyl]-1H-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

2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazole
CID 954581
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
CID 141216936
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1H-benzimidazole (CID 772158) is 2-[(4-methylphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1H-benzimidazole is Cc1ccc(Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1H-benzimidazole?
The InChIKey is HULPJQXXYCPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-6-8-12(9-7-11)10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methylphenyl)methyl]-1H-benzimidazole?
2-[(4-methylphenyl)methyl]-1H-benzimidazole has a molecular weight of 222.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 772158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).