1-propan-2-yl-2-(trifluoromethyl)benzimidazole

C11H11F3N2 — CID 888592

IUPAC1-propan-2-yl-2-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H11F3N2/c1-7(2)16-9-6-4-3-5-8(9)15-10(16)11(12,13)14/h3-7H,1-2H3
InChIKeyBNUJFALFEOMJIO-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.64
Rot. Bonds1

About 1-propan-2-yl-2-(trifluoromethyl)benzimidazole

1-propan-2-yl-2-(trifluoromethyl)benzimidazole (PubChem CID 888592) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-propan-2-yl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-(trifluoromethyl)benzimidazole
PubChem CID888592
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-propan-2-yl-2-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H11F3N2/c1-7(2)16-9-6-4-3-5-8(9)15-10(16)11(12,13)14/h3-7H,1-2H3
InChIKeyBNUJFALFEOMJIO-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione
CID 143205880
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3757026
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)benzimidazole (CID 888592) is 1-propan-2-yl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-propan-2-yl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-propan-2-yl-2-(trifluoromethyl)benzimidazole is CC(C)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-propan-2-yl-2-(trifluoromethyl)benzimidazole?
The InChIKey is BNUJFALFEOMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-7(2)16-9-6-4-3-5-8(9)15-10(16)11(12,13)14/h3-7H,1-2H3.
What are the key properties of 1-propan-2-yl-2-(trifluoromethyl)benzimidazole?
1-propan-2-yl-2-(trifluoromethyl)benzimidazole has a molecular weight of 228.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).