2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C29H29F3N2O2 — CID 59251354

IUPAC2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cc(OC(C)C)ccc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N2O2/c1-18(2)36-22-14-15-23(19(3)16-22)20-10-12-21(13-11-20)34-17-26(28(4,5)35)33-27(34)24-8-6-7-9-25(24)29(30,31)32/h6-18,35H,1-5H3
InChIKeyOTZCDZNMHLZLRW-UHFFFAOYSA-N
MW494.56 g/mol
LogP7.55
Rot. Bonds6

About 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251354) has the molecular formula C29H29F3N2O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251354
Molecular FormulaC29H29F3N2O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC Name2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cc(OC(C)C)ccc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N2O2/c1-18(2)36-22-14-15-23(19(3)16-22)20-10-12-21(13-11-20)34-17-26(28(4,5)35)33-27(34)24-8-6-7-9-25(24)29(30,31)32/h6-18,35H,1-5H3
InChIKeyOTZCDZNMHLZLRW-UHFFFAOYSA-N
XLogP7.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251354) is 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is Cc1cc(OC(C)C)ccc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is OTZCDZNMHLZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N2O2/c1-18(2)36-22-14-15-23(19(3)16-22)20-10-12-21(13-11-20)34-17-26(28(4,5)35)33-27(34)24-8-6-7-9-25(24)29(30,31)32/h6-18,35H,1-5H3.
What are the key properties of 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 494.56 g/mol, XLogP of 7.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methyl-4-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).