14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid

C24H36N2O2 — CID 69480323

IUPAC14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
SMILESCc1nc(CCCCCCCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C24H36N2O2/c1-21-25-22(20-26(21)23-17-13-11-14-18-23)16-12-9-7-5-3-2-4-6-8-10-15-19-24(27)28/h11,13-14,17-18,20H,2-10,12,15-16,19H2,1H3,(H,27,28)
InChIKeyARDJFMIIMTZQRK-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.49
Rot. Bonds15

About 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid

14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid (PubChem CID 69480323) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid.

Molecular Properties

Compound Name14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
PubChem CID69480323
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
SMILESCc1nc(CCCCCCCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C24H36N2O2/c1-21-25-22(20-26(21)23-17-13-11-14-18-23)16-12-9-7-5-3-2-4-6-8-10-15-19-24(27)28/h11,13-14,17-18,20H,2-10,12,15-16,19H2,1H3,(H,27,28)
InChIKeyARDJFMIIMTZQRK-UHFFFAOYSA-N
XLogP6.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic 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

11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
CID 69479442
17-(2-methyl-1-phenylimidazol-4-yl)heptadecanoic acid
CID 69479264
9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
CID 69479229
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
CID 82301682
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
6-(5-methyl-3-phenyltriazol-4-yl)hexanoic acid
CID 69480708
21-(5-methyl-3-phenyltriazol-4-yl)henicosanoic acid
CID 69480224
2-methyl-4-undecylimidazole-1-carboxylic acid
CID 150630296
11-acridin-9-ylundecanoic acid
CID 10737446
2-(3-methylphenoxy)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
CID 110711147

Frequently Asked Questions

What is the IUPAC name of 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid?
The IUPAC name of 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid (CID 69480323) is 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid.
What is the SMILES notation for 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid?
The canonical SMILES for 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid is Cc1nc(CCCCCCCCCCCCCC(=O)O)cn1-c1ccccc1.
What is the InChIKey of 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid?
The InChIKey is ARDJFMIIMTZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-21-25-22(20-26(21)23-17-13-11-14-18-23)16-12-9-7-5-3-2-4-6-8-10-15-19-24(27)28/h11,13-14,17-18,20H,2-10,12,15-16,19H2,1H3,(H,27,28).
What are the key properties of 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid?
14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid has a molecular weight of 384.56 g/mol, XLogP of 6.49, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid is sourced from PubChem (CID 69480323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).