2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol

C27H24ClF3N2O2 — CID 68697642

IUPAC2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCOc1ccc(Cl)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)CF)cc1
InChIInChI=1S/C27H24ClF3N2O2/c1-26(2,34)24-15-33(25(32-24)20-6-4-5-7-22(20)27(30,31)16-29)19-11-8-17(9-12-19)21-14-18(28)10-13-23(21)35-3/h4-15,34H,16H2,1-3H3
InChIKeyKFOOSOIPALJREX-UHFFFAOYSA-N
MW500.95 g/mol
LogP7.16
Rot. Bonds7

About 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 68697642) has the molecular formula C27H24ClF3N2O2 and a molecular weight of 500.95 g/mol. Its IUPAC name is 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID68697642
Molecular FormulaC27H24ClF3N2O2
Molecular Weight500.95 g/mol
Exact Mass500.15
IUPAC Name2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCOc1ccc(Cl)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)CF)cc1
InChIInChI=1S/C27H24ClF3N2O2/c1-26(2,34)24-15-33(25(32-24)20-6-4-5-7-22(20)27(30,31)16-29)19-11-8-17(9-12-19)21-14-18(28)10-13-23(21)35-3/h4-15,34H,16H2,1-3H3
InChIKeyKFOOSOIPALJREX-UHFFFAOYSA-N
XLogP7.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.95
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol 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 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 68697642) is 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol is COc1ccc(Cl)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)CF)cc1.
What is the InChIKey of 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is KFOOSOIPALJREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N2O2/c1-26(2,34)24-15-33(25(32-24)20-6-4-5-7-22(20)27(30,31)16-29)19-11-8-17(9-12-19)21-14-18(28)10-13-23(21)35-3/h4-15,34H,16H2,1-3H3.
What are the key properties of 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 500.95 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 68697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).