2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid

C20H18N2O4 — CID 95719448

IUPAC2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid
SMILESCOC(=O)[C@H](c1cccc(C)c1)n1ccnc1-c1ccccc1C(=O)O
InChIInChI=1S/C20H18N2O4/c1-13-6-5-7-14(12-13)17(20(25)26-2)22-11-10-21-18(22)15-8-3-4-9-16(15)19(23)24/h3-12,17H,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyMHRUZKRHPXMSAC-KRWDZBQOSA-N
MW350.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid

2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid (PubChem CID 95719448) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid
PubChem CID95719448
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid
SMILESCOC(=O)[C@H](c1cccc(C)c1)n1ccnc1-c1ccccc1C(=O)O
InChIInChI=1S/C20H18N2O4/c1-13-6-5-7-14(12-13)17(20(25)26-2)22-11-10-21-18(22)15-8-3-4-9-16(15)19(23)24/h3-12,17H,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyMHRUZKRHPXMSAC-KRWDZBQOSA-N
XLogP3.32
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid 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

methyl 2-[2-(2-fluorophenyl)imidazol-1-yl]propanoate
CID 82561191
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
1-(2-methoxy-2-oxo-1-phenylethyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 62109452
methyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801445
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
CID 82559442
(2S)-2-phenyl-2-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)acetamide
CID 154816425
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid (CID 95719448) is 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid is COC(=O)[C@H](c1cccc(C)c1)n1ccnc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid?
The InChIKey is MHRUZKRHPXMSAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-6-5-7-14(12-13)17(20(25)26-2)22-11-10-21-18(22)15-8-3-4-9-16(15)19(23)24/h3-12,17H,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid?
2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid has a molecular weight of 350.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-2-methoxy-1-(3-methylphenyl)-2-oxoethyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 95719448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).