(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one

C20H20N2O — CID 162408817

IUPAC(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
SMILESC[C@@H](CC(=O)c1nccn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-16(14-17-8-4-2-5-9-17)15-19(23)20-21-12-13-22(20)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1
InChIKeyHRWRKUDWXPNLAQ-MRXNPFEDSA-N
MW304.39 g/mol
LogP4.32
Rot. Bonds6

About (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one

(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one (PubChem CID 162408817) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
PubChem CID162408817
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
SMILESC[C@@H](CC(=O)c1nccn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-16(14-17-8-4-2-5-9-17)15-19(23)20-21-12-13-22(20)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1
InChIKeyHRWRKUDWXPNLAQ-MRXNPFEDSA-N
XLogP4.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
CID 132991303
ethyl (2R,3S)-3-methyl-4-oxo-2-[2-oxo-2-(1-phenylimidazol-2-yl)ethyl]-3-phenylbutanoate
CID 132530308
tert-butyl N-[3-oxo-1-phenyl-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973770
methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973768
tert-butyl (2R,3R)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-[2-oxo-2-(1-phenylimidazol-2-yl)ethyl]butanoate
CID 132530310
(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
CID 134955085
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
(3R)-3-(1-benzylpyrrol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)butan-1-one
CID 102573986
2-phenyl-1-(1-thiophen-2-ylimidazol-2-yl)ethanone
CID 164687398
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482
(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
CID 162136934
3-(1-methylimidazol-2-yl)-4-phenylbutanoic acid
CID 82385749

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one?
The IUPAC name of (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one (CID 162408817) is (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one.
What is the SMILES notation for (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one?
The canonical SMILES for (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one is C[C@@H](CC(=O)c1nccn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one?
The InChIKey is HRWRKUDWXPNLAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16(14-17-8-4-2-5-9-17)15-19(23)20-21-12-13-22(20)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one?
(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one is sourced from PubChem (CID 162408817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).