2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

C15H17F3N2O — CID 115065942

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESOC1CCC2N=C(Cc3ccc(C(F)(F)F)cc3)NC2C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)7-14-19-12-6-5-11(21)8-13(12)20-14/h1-4,11-13,21H,5-8H2,(H,19,20)
InChIKeyPLHFVEMBXZCJAA-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.53
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (PubChem CID 115065942) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
PubChem CID115065942
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESOC1CCC2N=C(Cc3ccc(C(F)(F)F)cc3)NC2C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)7-14-19-12-6-5-11(21)8-13(12)20-14/h1-4,11-13,21H,5-8H2,(H,19,20)
InChIKeyPLHFVEMBXZCJAA-UHFFFAOYSA-N
XLogP2.53
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-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

2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065620
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065626
2-[2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065678
2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065682
2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065730
2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065734
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065834
2-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065840
2-[[2-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065892
2-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065896
2-[(4-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065946
2-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065622

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (CID 115065942) is 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is OC1CCC2N=C(Cc3ccc(C(F)(F)F)cc3)NC2C1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The InChIKey is PLHFVEMBXZCJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)7-14-19-12-6-5-11(21)8-13(12)20-14/h1-4,11-13,21H,5-8H2,(H,19,20).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol has a molecular weight of 298.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is sourced from PubChem (CID 115065942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).