2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid

C27H24N4O4 — CID 19044782

IUPAC2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C27H24N4O4/c1-2-3-12-21-28-20-11-7-10-19(26(32)33)24(20)31(21)16-17-13-14-30-22(15-17)29-23(25(30)27(34)35)18-8-5-4-6-9-18/h4-11,13-15H,2-3,12,16H2,1H3,(H,32,33)(H,34,35)
InChIKeyHJYAVTRUWVKPII-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.14
Rot. Bonds8

About 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid

2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 19044782) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid
PubChem CID19044782
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C27H24N4O4/c1-2-3-12-21-28-20-11-7-10-19(26(32)33)24(20)31(21)16-17-13-14-30-22(15-17)29-23(25(30)27(34)35)18-8-5-4-6-9-18/h4-11,13-15H,2-3,12,16H2,1H3,(H,32,33)(H,34,35)
InChIKeyHJYAVTRUWVKPII-UHFFFAOYSA-N
XLogP5.14
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic 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-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid (CID 19044782) is 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid is CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is HJYAVTRUWVKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-2-3-12-21-28-20-11-7-10-19(26(32)33)24(20)31(21)16-17-13-14-30-22(15-17)29-23(25(30)27(34)35)18-8-5-4-6-9-18/h4-11,13-15H,2-3,12,16H2,1H3,(H,32,33)(H,34,35).
What are the key properties of 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid?
2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 468.51 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(3-carboxy-2-phenylimidazo[1,2-a]pyridin-7-yl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 19044782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).