2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol

C31H28N2O — CID 123341940

IUPAC2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1nccn1C(CO)Cc1ccccc1
InChIInChI=1S/C31H28N2O/c1-23-19-29(25-13-7-3-8-14-25)30(26-15-9-4-10-16-26)21-28(23)31-32-17-18-33(31)27(22-34)20-24-11-5-2-6-12-24/h2-19,21,27,34H,20,22H2,1H3
InChIKeyWIXXVUGXQYFFFN-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.97
Rot. Bonds7

About 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol

2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol (PubChem CID 123341940) has the molecular formula C31H28N2O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol
PubChem CID123341940
Molecular FormulaC31H28N2O
Molecular Weight444.58 g/mol
Exact Mass444.22
IUPAC Name2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1nccn1C(CO)Cc1ccccc1
InChIInChI=1S/C31H28N2O/c1-23-19-29(25-13-7-3-8-14-25)30(26-15-9-4-10-16-26)21-28(23)31-32-17-18-33(31)27(22-34)20-24-11-5-2-6-12-24/h2-19,21,27,34H,20,22H2,1H3
InChIKeyWIXXVUGXQYFFFN-UHFFFAOYSA-N
XLogP6.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
CID 11435866
2-phenyl-1-propan-2-ylimidazole
CID 12997870
1-[1-hydroxy-3-(3-phenylphenyl)propan-2-yl]pyridin-2-one
CID 166542262
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261116
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
3-(2-phenylimidazol-1-yl)butanoic acid
CID 53211630
2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole
CID 176865622
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol?
The IUPAC name of 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol (CID 123341940) is 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol is Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1nccn1C(CO)Cc1ccccc1.
What is the InChIKey of 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol?
The InChIKey is WIXXVUGXQYFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O/c1-23-19-29(25-13-7-3-8-14-25)30(26-15-9-4-10-16-26)21-28(23)31-32-17-18-33(31)27(22-34)20-24-11-5-2-6-12-24/h2-19,21,27,34H,20,22H2,1H3.
What are the key properties of 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol?
2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol has a molecular weight of 444.58 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 123341940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).