2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid

C23H26N2O2 — CID 66771783

IUPAC2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid
SMILESCc1cccc(CCc2cn(C(=O)O)c([C@@H](C)c3cccc(C)c3C)n2)c1
InChIInChI=1S/C23H26N2O2/c1-15-7-5-9-19(13-15)11-12-20-14-25(23(26)27)22(24-20)18(4)21-10-6-8-16(2)17(21)3/h5-10,13-14,18H,11-12H2,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyXDDKKUDVQSOWPO-SFHVURJKSA-N
MW362.47 g/mol
LogP5.27
Rot. Bonds5

About 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid

2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid (PubChem CID 66771783) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid
PubChem CID66771783
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid
SMILESCc1cccc(CCc2cn(C(=O)O)c([C@@H](C)c3cccc(C)c3C)n2)c1
InChIInChI=1S/C23H26N2O2/c1-15-7-5-9-19(13-15)11-12-20-14-25(23(26)27)22(24-20)18(4)21-10-6-8-16(2)17(21)3/h5-10,13-14,18H,11-12H2,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyXDDKKUDVQSOWPO-SFHVURJKSA-N
XLogP5.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic 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

(4-methylphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771564
(4-butylphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771496
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
3-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]butanoic acid
CID 66043236
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725
(2,4-dimethylphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771683
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
CID 110711140
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid (CID 66771783) is 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid is Cc1cccc(CCc2cn(C(=O)O)c([C@@H](C)c3cccc(C)c3C)n2)c1.
What is the InChIKey of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid?
The InChIKey is XDDKKUDVQSOWPO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-7-5-9-19(13-15)11-12-20-14-25(23(26)27)22(24-20)18(4)21-10-6-8-16(2)17(21)3/h5-10,13-14,18H,11-12H2,1-4H3,(H,26,27)/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid?
2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-4-[2-(3-methylphenyl)ethyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 66771783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).