2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone

C18H15F3N2O2 — CID 158539548

IUPAC2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2Cc1ccc(C(=O)CO)cc1
InChIInChI=1S/C18H15F3N2O2/c1-11-2-7-15-14(8-11)22-17(18(19,20)21)23(15)9-12-3-5-13(6-4-12)16(25)10-24/h2-8,24H,9-10H2,1H3
InChIKeyIURLBFQAVMFKTB-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.59
Rot. Bonds4

About 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone

2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone (PubChem CID 158539548) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone
PubChem CID158539548
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2Cc1ccc(C(=O)CO)cc1
InChIInChI=1S/C18H15F3N2O2/c1-11-2-7-15-14(8-11)22-17(18(19,20)21)23(15)9-12-3-5-13(6-4-12)16(25)10-24/h2-8,24H,9-10H2,1H3
InChIKeyIURLBFQAVMFKTB-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoate
CID 15376227
1-benzyl-5,6-dimethyl-2-(trifluoromethyl)benzimidazole
CID 162534871
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
CID 163540483
1-[4-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]phenyl]-2-hydroxyethanone
CID 157324412
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
2-[3-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15503234
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
methyl 4-[1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]benzoate
CID 4915364

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone (CID 158539548) is 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone is Cc1ccc2c(c1)nc(C(F)(F)F)n2Cc1ccc(C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone?
The InChIKey is IURLBFQAVMFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-2-7-15-14(8-11)22-17(18(19,20)21)23(15)9-12-3-5-13(6-4-12)16(25)10-24/h2-8,24H,9-10H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone?
2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone has a molecular weight of 348.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 158539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).