[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol

C12H17F3N2O — CID 118155221

IUPAC[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol
SMILESOCc1nc2c(n1CCCC(F)(F)F)CCCC2
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-3-7-17-10-5-2-1-4-9(10)16-11(17)8-18/h18H,1-8H2
InChIKeyJCJVEOBPAJTVSI-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.60
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol

[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol (PubChem CID 118155221) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol
PubChem CID118155221
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol
SMILESOCc1nc2c(n1CCCC(F)(F)F)CCCC2
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-3-7-17-10-5-2-1-4-9(10)16-11(17)8-18/h18H,1-8H2
InChIKeyJCJVEOBPAJTVSI-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol (CID 118155221) is [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol is OCc1nc2c(n1CCCC(F)(F)F)CCCC2.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol?
The InChIKey is JCJVEOBPAJTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)6-3-7-17-10-5-2-1-4-9(10)16-11(17)8-18/h18H,1-8H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol?
[1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methanol is sourced from PubChem (CID 118155221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).