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

C24H23N3O3 — CID 10092454

IUPAC2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H23N3O3/c1-2-3-8-21-26-20-13-14-25-23(28)22(20)27(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,28)(H,29,30)
InChIKeyRZINJLAVRWFBLD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.48
Rot. Bonds7

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

2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid (PubChem CID 10092454) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid
PubChem CID10092454
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H23N3O3/c1-2-3-8-21-26-20-13-14-25-23(28)22(20)27(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,28)(H,29,30)
InChIKeyRZINJLAVRWFBLD-UHFFFAOYSA-N
XLogP4.48
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid (CID 10092454) is 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid?
The InChIKey is RZINJLAVRWFBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-3-8-21-26-20-13-14-25-23(28)22(20)27(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,28)(H,29,30).
What are the key properties of 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid?
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid has a molecular weight of 401.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 10092454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).