4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid

C18H19N3O3 — CID 19349828

IUPAC4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19N3O3/c1-2-3-4-15-20-14-9-10-19-17(22)16(14)21(15)11-12-5-7-13(8-6-12)18(23)24/h5-10H,2-4,11H2,1H3,(H,19,22)(H,23,24)
InChIKeyODGCSXPPZHUKCP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.81
Rot. Bonds6

About 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid

4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid (PubChem CID 19349828) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
PubChem CID19349828
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19N3O3/c1-2-3-4-15-20-14-9-10-19-17(22)16(14)21(15)11-12-5-7-13(8-6-12)18(23)24/h5-10H,2-4,11H2,1H3,(H,19,22)(H,23,24)
InChIKeyODGCSXPPZHUKCP-UHFFFAOYSA-N
XLogP2.81
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid with MolForge

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Related Compounds

2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
CID 19349807
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 10529180
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
4-[[2-butyl-5-(piperazine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid
CID 67300414
2-butyl-3-[[2-[2-(1-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67880833
2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15224472
4-[[2-butyl-5-(1-carboxyethenyl)imidazol-1-yl]methyl]benzoic acid
CID 22464021
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid (CID 19349828) is 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid?
The InChIKey is ODGCSXPPZHUKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-3-4-15-20-14-9-10-19-17(22)16(14)21(15)11-12-5-7-13(8-6-12)18(23)24/h5-10H,2-4,11H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid?
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid is sourced from PubChem (CID 19349828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).