3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol

C15H19F3N2O — CID 46308378

IUPAC3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
SMILESCCC(C)c1nc2cc(C(F)(F)F)ccc2n1CCCO
InChIInChI=1S/C15H19F3N2O/c1-3-10(2)14-19-12-9-11(15(16,17)18)5-6-13(12)20(14)7-4-8-21/h5-6,9-10,21H,3-4,7-8H2,1-2H3
InChIKeyUXESTMUOQPWQGL-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.95
Rot. Bonds5

About 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol

3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 46308378) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID46308378
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
SMILESCCC(C)c1nc2cc(C(F)(F)F)ccc2n1CCCO
InChIInChI=1S/C15H19F3N2O/c1-3-10(2)14-19-12-9-11(15(16,17)18)5-6-13(12)20(14)7-4-8-21/h5-6,9-10,21H,3-4,7-8H2,1-2H3
InChIKeyUXESTMUOQPWQGL-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 81456809
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropan-1-ol
CID 84617340

Frequently Asked Questions

What is the IUPAC name of 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol (CID 46308378) is 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol is CCC(C)c1nc2cc(C(F)(F)F)ccc2n1CCCO.
What is the InChIKey of 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is UXESTMUOQPWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-10(2)14-19-12-9-11(15(16,17)18)5-6-13(12)20(14)7-4-8-21/h5-6,9-10,21H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).