2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid

C24H23N3O2 — CID 151403557

IUPAC2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid
SMILESCCCCc1nc2ccc(C)nc2n1-c1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H23N3O2/c1-3-4-9-22-26-21-15-10-16(2)25-23(21)27(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)
InChIKeyOXAGJRWYJIPQAF-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.44
Rot. Bonds6

About 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid

2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid (PubChem CID 151403557) 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-3-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid
PubChem CID151403557
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid
SMILESCCCCc1nc2ccc(C)nc2n1-c1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H23N3O2/c1-3-4-9-22-26-21-15-10-16(2)25-23(21)27(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)
InChIKeyOXAGJRWYJIPQAF-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-4-yl)phenyl]benzoic acid
CID 151315426
2-[4-[[5-(benzylamino)-2-butylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 15015216
2-[4-[[6-(azocan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15661952
2-[4-[[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15661956
2-[4-(2-butyl-6-chlorobenzimidazol-1-yl)-2-methylphenyl]benzoic acid
CID 67572433
2-[4-[[2-butyl-5-(hexylsulfonylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 67910085
2-[4-[(2-butylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoic acid
CID 67910451
2-[4-(2-butyl-5-hydroxybenzimidazol-1-yl)-2-methylphenyl]benzoic acid
CID 67572604
2-[4-[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]-2-methylphenyl]benzoic acid
CID 67573448
2-[4-[[2-butyl-5-[(4-chlorophenyl)sulfonylamino]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 15015261
2-[4-[(2-butyl-5-methoxycarbonyl-4H-pyrrolo[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid
CID 67024372
2-[4-[(2-butyl-6-phenylmethoxybenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 57265953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid?
The IUPAC name of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid (CID 151403557) is 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid.
What is the SMILES notation for 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid?
The canonical SMILES for 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid is CCCCc1nc2ccc(C)nc2n1-c1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid?
The InChIKey is OXAGJRWYJIPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-4-9-22-26-21-15-10-16(2)25-23(21)27(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-3-yl)phenyl]benzoic acid?
2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid has a molecular weight of 385.47 g/mol, XLogP of 5.44, 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-3-yl)phenyl]benzoic acid is sourced from PubChem (CID 151403557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).