2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid

C22H23N3O3 — CID 172505587

IUPAC2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
SMILESCc1cccc(C(Cc2ccc(C(=O)NCC(=O)O)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C22H23N3O3/c1-14-4-3-5-18(15(14)2)19(20-11-23-13-25-20)10-16-6-8-17(9-7-16)22(28)24-12-21(26)27/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)
InChIKeyUESSLYOPEWQXJM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.22
Rot. Bonds7

About 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid

2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid (PubChem CID 172505587) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
PubChem CID172505587
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
SMILESCc1cccc(C(Cc2ccc(C(=O)NCC(=O)O)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C22H23N3O3/c1-14-4-3-5-18(15(14)2)19(20-11-23-13-25-20)10-16-6-8-17(9-7-16)22(28)24-12-21(26)27/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)
InChIKeyUESSLYOPEWQXJM-UHFFFAOYSA-N
XLogP3.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic 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

5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 177218655
4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-hydroxybenzoic acid
CID 172505577
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 176560146
5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
CID 172505548
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]oxane-4-carbothioamide
CID 172505756
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-3-fluorophenyl]acetamide
CID 172505573
1-[2-[5-(2,3-dimethylphenyl)-5-(1H-imidazol-5-yl)pentoxy]ethyl]-3-methylurea
CID 176560152
7-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 172505740
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
N-[2-[2-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethoxy]ethoxy]ethyl]methanesulfonamide
CID 176559960
3-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 177218581
5-[(1S)-1,2,2,2-tetradeuterio-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
CID 169437868

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid (CID 172505587) is 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid is Cc1cccc(C(Cc2ccc(C(=O)NCC(=O)O)cc2)c2cnc[nH]2)c1C.
What is the InChIKey of 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid?
The InChIKey is UESSLYOPEWQXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-4-3-5-18(15(14)2)19(20-11-23-13-25-20)10-16-6-8-17(9-7-16)22(28)24-12-21(26)27/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid?
2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 172505587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).