2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid

C33H31N3O4 — CID 19735675

IUPAC2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
SMILESCCCCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1
InChIInChI=1S/C33H31N3O4/c1-3-4-10-26-21-36-29(20-15-22(2)31(36)34-26)30(40-33(39)35-25-11-6-5-7-12-25)24-18-16-23(17-19-24)27-13-8-9-14-28(27)32(37)38/h5-9,11-21,30H,3-4,10H2,1-2H3,(H,35,39)(H,37,38)
InChIKeyRPEQWGFCDOWVEM-UHFFFAOYSA-N
MW533.63 g/mol
LogP7.69
Rot. Bonds9

About 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid

2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid (PubChem CID 19735675) has the molecular formula C33H31N3O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
PubChem CID19735675
Molecular FormulaC33H31N3O4
Molecular Weight533.63 g/mol
Exact Mass533.23
IUPAC Name2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
SMILESCCCCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1
InChIInChI=1S/C33H31N3O4/c1-3-4-10-26-21-36-29(20-15-22(2)31(36)34-26)30(40-33(39)35-25-11-6-5-7-12-25)24-18-16-23(17-19-24)27-13-8-9-14-28(27)32(37)38/h5-9,11-21,30H,3-4,10H2,1-2H3,(H,35,39)(H,37,38)
InChIKeyRPEQWGFCDOWVEM-UHFFFAOYSA-N
XLogP7.69
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]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-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid (CID 19735675) is 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid is CCCCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1.
What is the InChIKey of 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The InChIKey is RPEQWGFCDOWVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4/c1-3-4-10-26-21-36-29(20-15-22(2)31(36)34-26)30(40-33(39)35-25-11-6-5-7-12-25)24-18-16-23(17-19-24)27-13-8-9-14-28(27)32(37)38/h5-9,11-21,30H,3-4,10H2,1-2H3,(H,35,39)(H,37,38).
What are the key properties of 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid has a molecular weight of 533.63 g/mol, XLogP of 7.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid is sourced from PubChem (CID 19735675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).