3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene

C22H25F3N2O — CID 155742771

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1-c1ccccc1.OC1CCCC(C2=NCCN2)C1
InChIInChI=1S/C13H9F3.C9H16N2O/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-8-3-1-2-7(6-8)9-10-4-5-11-9/h1-9H;7-8,12H,1-6H2,(H,10,11)
InChIKeyAENJRPJAQKDIDV-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.91
Rot. Bonds2

About 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene

3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene (PubChem CID 155742771) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene
PubChem CID155742771
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1-c1ccccc1.OC1CCCC(C2=NCCN2)C1
InChIInChI=1S/C13H9F3.C9H16N2O/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-8-3-1-2-7(6-8)9-10-4-5-11-9/h1-9H;7-8,12H,1-6H2,(H,10,11)
InChIKeyAENJRPJAQKDIDV-UHFFFAOYSA-N
XLogP4.91
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene 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 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene (CID 155742771) is 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1-c1ccccc1.OC1CCCC(C2=NCCN2)C1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene?
The InChIKey is AENJRPJAQKDIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3.C9H16N2O/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-8-3-1-2-7(6-8)9-10-4-5-11-9/h1-9H;7-8,12H,1-6H2,(H,10,11).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene?
3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene has a molecular weight of 390.45 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexan-1-ol;1-phenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 155742771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).