11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid

C21H30N2O2 — CID 69479442

IUPAC11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
SMILESCc1nc(CCCCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-18-22-19(17-23(18)20-14-10-8-11-15-20)13-9-6-4-2-3-5-7-12-16-21(24)25/h8,10-11,14-15,17H,2-7,9,12-13,16H2,1H3,(H,24,25)
InChIKeyZBNOVAKUQBXXSR-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.32
Rot. Bonds12

About 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid

11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid (PubChem CID 69479442) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid.

Molecular Properties

Compound Name11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
PubChem CID69479442
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
SMILESCc1nc(CCCCCCCCCCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-18-22-19(17-23(18)20-14-10-8-11-15-20)13-9-6-4-2-3-5-7-12-16-21(24)25/h8,10-11,14-15,17H,2-7,9,12-13,16H2,1H3,(H,24,25)
InChIKeyZBNOVAKUQBXXSR-UHFFFAOYSA-N
XLogP5.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
CID 69480323
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 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid?
The IUPAC name of 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid (CID 69479442) is 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid.
What is the SMILES notation for 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid?
The canonical SMILES for 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid is Cc1nc(CCCCCCCCCCC(=O)O)cn1-c1ccccc1.
What is the InChIKey of 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid?
The InChIKey is ZBNOVAKUQBXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-18-22-19(17-23(18)20-14-10-8-11-15-20)13-9-6-4-2-3-5-7-12-16-21(24)25/h8,10-11,14-15,17H,2-7,9,12-13,16H2,1H3,(H,24,25).
What are the key properties of 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid?
11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid has a molecular weight of 342.48 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid is sourced from PubChem (CID 69479442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).