4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid

C15H18N2O2 — CID 116878659

IUPAC4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCc1ccc(-c2cnc(CCCC(=O)O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-11-6-8-12(9-7-11)13-10-16-14(17-13)4-3-5-15(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeySYWNSKVGLNORLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.05
Rot. Bonds6

About 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid

4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116878659) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116878659
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCc1ccc(-c2cnc(CCCC(=O)O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-11-6-8-12(9-7-11)13-10-16-14(17-13)4-3-5-15(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeySYWNSKVGLNORLB-UHFFFAOYSA-N
XLogP3.05
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic 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-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881749
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116878659) is 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid is CCc1ccc(-c2cnc(CCCC(=O)O)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is SYWNSKVGLNORLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-11-6-8-12(9-7-11)13-10-16-14(17-13)4-3-5-15(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid?
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116878659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).