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

C15H13FN2 — CID 113411916

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
SMILESCc1cc(F)ccc1Cn1cnc2ccccc21
InChIInChI=1S/C15H13FN2/c1-11-8-13(16)7-6-12(11)9-18-10-17-14-4-2-3-5-15(14)18/h2-8,10H,9H2,1H3
InChIKeyUXJVDEMYUJLNEZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.53
Rot. Bonds2

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

1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole (PubChem CID 113411916) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
PubChem CID113411916
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
SMILESCc1cc(F)ccc1Cn1cnc2ccccc21
InChIInChI=1S/C15H13FN2/c1-11-8-13(16)7-6-12(11)9-18-10-17-14-4-2-3-5-15(14)18/h2-8,10H,9H2,1H3
InChIKeyUXJVDEMYUJLNEZ-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluoro-2-methylphenyl)methyl]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-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 115569491
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
4,5-bis(benzimidazol-1-ylmethyl)acridine
CID 102172067
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
CID 114346298

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole (CID 113411916) is 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole is Cc1cc(F)ccc1Cn1cnc2ccccc21.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole?
The InChIKey is UXJVDEMYUJLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11-8-13(16)7-6-12(11)9-18-10-17-14-4-2-3-5-15(14)18/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole?
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole has a molecular weight of 240.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 113411916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).