2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole

C15H10F4N2 — CID 64722297

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H10F4N2/c1-8-3-2-4-12-13(8)21-14(20-12)9-5-6-11(16)10(7-9)15(17,18)19/h2-7H,1H3,(H,20,21)
InChIKeyBVWJRKRMWIXINO-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.70
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole

2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole (PubChem CID 64722297) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
PubChem CID64722297
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H10F4N2/c1-8-3-2-4-12-13(8)21-14(20-12)9-5-6-11(16)10(7-9)15(17,18)19/h2-7H,1H3,(H,20,21)
InChIKeyBVWJRKRMWIXINO-UHFFFAOYSA-N
XLogP4.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79791283
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methyl-3H-quinazolin-4-one
CID 137108961
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole (CID 64722297) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)nc12.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole?
The InChIKey is BVWJRKRMWIXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c1-8-3-2-4-12-13(8)21-14(20-12)9-5-6-11(16)10(7-9)15(17,18)19/h2-7H,1H3,(H,20,21).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole has a molecular weight of 294.25 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 64722297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).