1-benzyl-2-(4-fluorophenyl)benzimidazole

C20H15FN2 — CID 19243195

IUPAC1-benzyl-2-(4-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C20H15FN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyKQFAFDNQAJMBCC-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.89
Rot. Bonds3

About 1-benzyl-2-(4-fluorophenyl)benzimidazole

1-benzyl-2-(4-fluorophenyl)benzimidazole (PubChem CID 19243195) has the molecular formula C20H15FN2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-benzyl-2-(4-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-fluorophenyl)benzimidazole
PubChem CID19243195
Molecular FormulaC20H15FN2
Molecular Weight302.35 g/mol
Exact Mass302.12
IUPAC Name1-benzyl-2-(4-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C20H15FN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyKQFAFDNQAJMBCC-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
CID 141100454

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-fluorophenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(4-fluorophenyl)benzimidazole (CID 19243195) is 1-benzyl-2-(4-fluorophenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-fluorophenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(4-fluorophenyl)benzimidazole is Fc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-fluorophenyl)benzimidazole?
The InChIKey is KQFAFDNQAJMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 1-benzyl-2-(4-fluorophenyl)benzimidazole?
1-benzyl-2-(4-fluorophenyl)benzimidazole has a molecular weight of 302.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-fluorophenyl)benzimidazole is sourced from PubChem (CID 19243195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).