2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid

C26H26N2O3 — CID 19735676

IUPAC2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid
SMILESCCCCc1cn2c(C(O)c3ccc(-c4ccccc4C(=O)O)cc3)c(C)ccc2n1
InChIInChI=1S/C26H26N2O3/c1-3-4-7-20-16-28-23(27-20)15-10-17(2)24(28)25(29)19-13-11-18(12-14-19)21-8-5-6-9-22(21)26(30)31/h5-6,8-16,25,29H,3-4,7H2,1-2H3,(H,30,31)
InChIKeyXRLSCSUJDWYHET-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.43
Rot. Bonds7

About 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid

2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid (PubChem CID 19735676) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid
PubChem CID19735676
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid
SMILESCCCCc1cn2c(C(O)c3ccc(-c4ccccc4C(=O)O)cc3)c(C)ccc2n1
InChIInChI=1S/C26H26N2O3/c1-3-4-7-20-16-28-23(27-20)15-10-17(2)24(28)25(29)19-13-11-18(12-14-19)21-8-5-6-9-22(21)26(30)31/h5-6,8-16,25,29H,3-4,7H2,1-2H3,(H,30,31)
InChIKeyXRLSCSUJDWYHET-UHFFFAOYSA-N
XLogP5.43
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid (CID 19735676) is 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid is CCCCc1cn2c(C(O)c3ccc(-c4ccccc4C(=O)O)cc3)c(C)ccc2n1.
What is the InChIKey of 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid?
The InChIKey is XRLSCSUJDWYHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-3-4-7-20-16-28-23(27-20)15-10-17(2)24(28)25(29)19-13-11-18(12-14-19)21-8-5-6-9-22(21)26(30)31/h5-6,8-16,25,29H,3-4,7H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid?
2-[4-[(2-butyl-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid has a molecular weight of 414.51 g/mol, XLogP of 5.43, 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-6-methylimidazo[1,2-a]pyridin-5-yl)-hydroxymethyl]phenyl]benzoic acid is sourced from PubChem (CID 19735676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).