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

C15H10F4N2 — CID 1472616

IUPAC1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
SMILESFc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C15H10F4N2/c16-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)20-14(21)15(17,18)19/h1-8H,9H2
InChIKeyYOUUEEQFDVMDNL-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.24
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole (PubChem CID 1472616) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
PubChem CID1472616
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
SMILESFc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C15H10F4N2/c16-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)20-14(21)15(17,18)19/h1-8H,9H2
InChIKeyYOUUEEQFDVMDNL-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
CID 134126886
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 2772843
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzenecarbothioamide
CID 82032157
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole (CID 1472616) is 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole is Fc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is YOUUEEQFDVMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c16-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)20-14(21)15(17,18)19/h1-8H,9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole?
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 294.25 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 1472616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).