2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

C20H20N4O2 — CID 90407470

IUPAC2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O2/c1-23-13-22-18(17-12-15(20(25)26)8-9-21-17)19(23)14-4-6-16(7-5-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,26)
InChIKeyRYHMPYHFLUZIAQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.45
Rot. Bonds4

About 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407470) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407470
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O2/c1-23-13-22-18(17-12-15(20(25)26)8-9-21-17)19(23)14-4-6-16(7-5-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,26)
InChIKeyRYHMPYHFLUZIAQ-UHFFFAOYSA-N
XLogP3.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-6022
CID 44623946
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
Zolpidem carboxylic acid
CID 11966044
4-(1-Imidazolyl)benzoic Acid
CID 736529
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
Deoxyaminopteroic Acid
CID 72441
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
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-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
CID 11702405

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407470) is 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is RYHMPYHFLUZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-13-22-18(17-12-15(20(25)26)8-9-21-17)19(23)14-4-6-16(7-5-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,26).
What are the key properties of 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(4-pyrrolidin-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).