3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol

C12H13F3N2O — CID 63902276

IUPAC3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c1-2-11-16-8-5-3-4-6-9(8)17(11)7-10(18)12(13,14)15/h3-6,10,18H,2,7H2,1H3
InChIKeyJVDWBKVJYXBRAF-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.52
Rot. Bonds3

About 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63902276) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63902276
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c1-2-11-16-8-5-3-4-6-9(8)17(11)7-10(18)12(13,14)15/h3-6,10,18H,2,7H2,1H3
InChIKeyJVDWBKVJYXBRAF-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
CID 65011810
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
CID 65014548
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
CID 63107309

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63902276) is 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol is CCc1nc2ccccc2n1CC(O)C(F)(F)F.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is JVDWBKVJYXBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-2-11-16-8-5-3-4-6-9(8)17(11)7-10(18)12(13,14)15/h3-6,10,18H,2,7H2,1H3.
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 258.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).