1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H15F3N2O — CID 66140060

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1cncn1C1CC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-10(2-4-11)7-14(21)13-8-19-9-20(13)12-5-6-12/h1-4,8-9,12,14,21H,5-7H2
InChIKeyAFCLCPNDRACQJN-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 66140060) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID66140060
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1cncn1C1CC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-10(2-4-11)7-14(21)13-8-19-9-20(13)12-5-6-12/h1-4,8-9,12,14,21H,5-7H2
InChIKeyAFCLCPNDRACQJN-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3291165
CID 3291165
CID 3240397
CID 3240397
CID 3932949
CID 3932949
CID 2891022
CID 2891022
CID 3074053
CID 3074053
CID 24825634
CID 24825634
CID 304295
CID 304295
CID 304329
CID 304329
CID 12760609
CID 12760609
CID 18670846
CID 18670846
CID 3726808
CID 3726808
CID 3246549
CID 3246549

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 66140060) is 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(C(F)(F)F)cc1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AFCLCPNDRACQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-10(2-4-11)7-14(21)13-8-19-9-20(13)12-5-6-12/h1-4,8-9,12,14,21H,5-7H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66140060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).