9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid

C19H26N2O2 — CID 69479229

IUPAC9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
SMILESCc1nc(CCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-16-20-17(15-21(16)18-12-8-6-9-13-18)11-7-4-2-3-5-10-14-19(22)23/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,22,23)
InChIKeyDDWVOSNOFXWNJE-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.54
Rot. Bonds10

About 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid

9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid (PubChem CID 69479229) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid.

Molecular Properties

Compound Name9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
PubChem CID69479229
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
SMILESCc1nc(CCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-16-20-17(15-21(16)18-12-8-6-9-13-18)11-7-4-2-3-5-10-14-19(22)23/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,22,23)
InChIKeyDDWVOSNOFXWNJE-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic 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
14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
CID 69480323
17-(2-methyl-1-phenylimidazol-4-yl)heptadecanoic acid
CID 69479264
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 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid?
The IUPAC name of 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid (CID 69479229) is 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid.
What is the SMILES notation for 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid?
The canonical SMILES for 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid is Cc1nc(CCCCCCCCC(=O)O)cn1-c1ccccc1.
What is the InChIKey of 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid?
The InChIKey is DDWVOSNOFXWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-16-20-17(15-21(16)18-12-8-6-9-13-18)11-7-4-2-3-5-10-14-19(22)23/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,22,23).
What are the key properties of 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid?
9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid has a molecular weight of 314.43 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid is sourced from PubChem (CID 69479229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).