1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid

C16H15N3O2 — CID 142955129

IUPAC1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid
SMILESCN1C=CC(n2cc(C(=O)O)nc2-c2ccccc2)=CC1
InChIInChI=1S/C16H15N3O2/c1-18-9-7-13(8-10-18)19-11-14(16(20)21)17-15(19)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyPLAUKGSQSWJXCC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.55
Rot. Bonds3

About 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid

1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid (PubChem CID 142955129) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid
PubChem CID142955129
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid
SMILESCN1C=CC(n2cc(C(=O)O)nc2-c2ccccc2)=CC1
InChIInChI=1S/C16H15N3O2/c1-18-9-7-13(8-10-18)19-11-14(16(20)21)17-15(19)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyPLAUKGSQSWJXCC-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
1-butyl-2-phenylimidazole-4-carboxylic acid
CID 142669495
methyl 3-methyl-2-phenylimidazole-4-carboxylate;1-methyl-2-phenylimidazole-4-carboxylic acid
CID 69487568
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
N-cyclohexyl-1,2-diphenylimidazole-4-carboxamide
CID 22285498
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid (CID 142955129) is 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid is CN1C=CC(n2cc(C(=O)O)nc2-c2ccccc2)=CC1.
What is the InChIKey of 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid?
The InChIKey is PLAUKGSQSWJXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-18-9-7-13(8-10-18)19-11-14(16(20)21)17-15(19)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid?
1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 142955129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).