2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole

C21H17FN2 — CID 709541

IUPAC2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17FN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyKMIHSPYTYZNYAV-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.81
Rot. Bonds4

About 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole

2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 709541) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID709541
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17FN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyKMIHSPYTYZNYAV-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987379
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
CID 142209544
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole (CID 709541) is 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole is Fc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is KMIHSPYTYZNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2.
What are the key properties of 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole?
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 316.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 709541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).