2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol

C26H24ClFN2O — CID 90377897

IUPAC2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3C)c(F)c2)c1
InChIInChI=1S/C26H24ClFN2O/c1-16-7-5-8-18(13-16)19-11-12-23(22(28)14-19)30-15-24(26(3,4)31)29-25(30)20-9-6-10-21(27)17(20)2/h5-15,31H,1-4H3
InChIKeyXUHBQXRAQRYYLO-UHFFFAOYSA-N
MW434.94 g/mol
LogP6.84
Rot. Bonds4

About 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol

2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 90377897) has the molecular formula C26H24ClFN2O and a molecular weight of 434.94 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID90377897
Molecular FormulaC26H24ClFN2O
Molecular Weight434.94 g/mol
Exact Mass434.16
IUPAC Name2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3C)c(F)c2)c1
InChIInChI=1S/C26H24ClFN2O/c1-16-7-5-8-18(13-16)19-11-12-23(22(28)14-19)30-15-24(26(3,4)31)29-25(30)20-9-6-10-21(27)17(20)2/h5-15,31H,1-4H3
InChIKeyXUHBQXRAQRYYLO-UHFFFAOYSA-N
XLogP6.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.94
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 90377897) is 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol is Cc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3C)c(F)c2)c1.
What is the InChIKey of 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is XUHBQXRAQRYYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O/c1-16-7-5-8-18(13-16)19-11-12-23(22(28)14-19)30-15-24(26(3,4)31)29-25(30)20-9-6-10-21(27)17(20)2/h5-15,31H,1-4H3.
What are the key properties of 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 434.94 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 90377897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).