2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid

C24H23N3O2 — CID 151315426

IUPAC2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid
SMILESCCCCc1nc2ccc(C)n(-c3ccc(-c4ccccc4C(=O)O)cc3)c-2n1
InChIInChI=1S/C24H23N3O2/c1-3-4-9-22-25-21-15-10-16(2)27(23(21)26-22)18-13-11-17(12-14-18)19-7-5-6-8-20(19)24(28)29/h5-8,10-15H,3-4,9H2,1-2H3,(H,28,29)
InChIKeyOFHWDPFNUQUCSG-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.39
Rot. Bonds6

About 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid

2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid (PubChem CID 151315426) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid
PubChem CID151315426
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid
SMILESCCCCc1nc2ccc(C)n(-c3ccc(-c4ccccc4C(=O)O)cc3)c-2n1
InChIInChI=1S/C24H23N3O2/c1-3-4-9-22-25-21-15-10-16(2)27(23(21)26-22)18-13-11-17(12-14-18)19-7-5-6-8-20(19)24(28)29/h5-8,10-15H,3-4,9H2,1-2H3,(H,28,29)
InChIKeyOFHWDPFNUQUCSG-UHFFFAOYSA-N
XLogP5.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid
CID 151403557
2-[4-[[2-butyl-5-(carboxymethyl)-6-[[4-(2-carboxyphenyl)phenyl]methyl]pyrimidin-4-yl]methyl]phenyl]benzoic acid
CID 19001352
2-(4-octylphenyl)benzoic acid
CID 23035037
2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzoic acid
CID 55111470
2-[4-[(5-but-2-enyl-3-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
CID 54016075
2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid
CID 19735676
2-[6-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzoic acid
CID 19976768
2-[4-[(5-butyl-2-hydroxy-3-methyl-7-oxo-8H-imidazo[1,2-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid
CID 135976779
2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 10815565
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557
2-[4-[(2,4-dibutyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
CID 135892621
2-[4-[(7-butanoyloxy-2-butyl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 15069341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid?
The IUPAC name of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid (CID 151315426) is 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid.
What is the SMILES notation for 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid?
The canonical SMILES for 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid is CCCCc1nc2ccc(C)n(-c3ccc(-c4ccccc4C(=O)O)cc3)c-2n1.
What is the InChIKey of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid?
The InChIKey is OFHWDPFNUQUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-4-9-22-25-21-15-10-16(2)27(23(21)26-22)18-13-11-17(12-14-18)19-7-5-6-8-20(19)24(28)29/h5-8,10-15H,3-4,9H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid?
2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid has a molecular weight of 385.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid is sourced from PubChem (CID 151315426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).