2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid

C22H18N4O2 — CID 50953355

IUPAC2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1
InChIInChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28)
InChIKeyJRELHIHZJJZATR-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid

2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid (PubChem CID 50953355) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
PubChem CID50953355
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1
InChIInChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28)
InChIKeyJRELHIHZJJZATR-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic 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

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4-yl)-propionic acid
CID 9966944
3-[N-(2-carboxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10048776
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
2-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694042

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The IUPAC name of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid (CID 50953355) is 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The canonical SMILES for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid is Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1.
What is the InChIKey of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The InChIKey is JRELHIHZJJZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28).
What are the key properties of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid is sourced from PubChem (CID 50953355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).