2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid

C15H18N2O2 — CID 116878737

IUPAC2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCC(C)c1ccc(-c2cnc(C(C)C(=O)O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-9(2)11-4-6-12(7-5-11)13-8-16-14(17-13)10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)
InChIKeyQMAUBMQEUUOIKV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.39
Rot. Bonds4

About 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid

2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 116878737) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
PubChem CID116878737
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCC(C)c1ccc(-c2cnc(C(C)C(=O)O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-9(2)11-4-6-12(7-5-11)13-8-16-14(17-13)10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)
InChIKeyQMAUBMQEUUOIKV-UHFFFAOYSA-N
XLogP3.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic 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

2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid
CID 84677638
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878761
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 129283446
3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878821
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
3-methyl-N-[(1S)-2-methyl-1-[5-[4-[4-[2-[2-methyl-1-(3-methylbutanoylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]butanamide
CID 130279050
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate
CID 175522367
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid (CID 116878737) is 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid is CC(C)c1ccc(-c2cnc(C(C)C(=O)O)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is QMAUBMQEUUOIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)11-4-6-12(7-5-11)13-8-16-14(17-13)10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid?
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 116878737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).