1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C11H7F5N2O2 — CID 115408209

IUPAC1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2CC(F)F
InChIInChI=1S/C11H7F5N2O2/c12-8(13)4-18-7-2-1-5(9(19)20)3-6(7)17-10(18)11(14,15)16/h1-3,8H,4H2,(H,19,20)
InChIKeyHKKBIVLCPARZPB-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.02
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (PubChem CID 115408209) has the molecular formula C11H7F5N2O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
PubChem CID115408209
Molecular FormulaC11H7F5N2O2
Molecular Weight294.18 g/mol
Exact Mass294.04
IUPAC Name1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2CC(F)F
InChIInChI=1S/C11H7F5N2O2/c12-8(13)4-18-7-2-1-5(9(19)20)3-6(7)17-10(18)11(14,15)16/h1-3,8H,4H2,(H,19,20)
InChIKeyHKKBIVLCPARZPB-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 83019939
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790528
3-(3-methylbutyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82768907
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
3-(1-hydroxypropan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790939
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149
1-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106176235
2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone
CID 158539548
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
CID 163540483

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (CID 115408209) is 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The InChIKey is HKKBIVLCPARZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O2/c12-8(13)4-18-7-2-1-5(9(19)20)3-6(7)17-10(18)11(14,15)16/h1-3,8H,4H2,(H,19,20).
What are the key properties of 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid has a molecular weight of 294.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 115408209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).