1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C14H17F3N2O — CID 46308238

IUPAC1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1c(C(C)C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O/c1-8(2)13-18-11-6-10(14(15,16)17)4-5-12(11)19(13)7-9(3)20/h4-6,8-9,20H,7H2,1-3H3
InChIKeyIRLBOVYTGDNENF-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.56
Rot. Bonds3

About 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 46308238) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID46308238
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1c(C(C)C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O/c1-8(2)13-18-11-6-10(14(15,16)17)4-5-12(11)19(13)7-9(3)20/h4-6,8-9,20H,7H2,1-3H3
InChIKeyIRLBOVYTGDNENF-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308244
3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308378
1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole
CID 46310833
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
(2R)-1-[2-[(5-chloro-1H-indol-3-yl)amino]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 167428607
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 54757558
2-(2-chloroethyl)-1-(2-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 102699442
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 81456809
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530

Frequently Asked Questions

What is the IUPAC name of 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 46308238) is 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is CC(O)Cn1c(C(C)C)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is IRLBOVYTGDNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8(2)13-18-11-6-10(14(15,16)17)4-5-12(11)19(13)7-9(3)20/h4-6,8-9,20H,7H2,1-3H3.
What are the key properties of 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 286.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 46308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).