N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide

C25H24Cl2N4O — CID 3212401

About N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide

N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide (PubChem CID 3212401) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide.

Molecular Properties

• Compound Name: N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
• PubChem CID: 3212401
• Molecular Formula: C25H24Cl2N4O
• Molecular Weight: 467.40 g/mol
• Exact Mass: 466.13
• IUPAC Name: N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
• SMILES: CCCCc1nc2c(C)c(NC(=O)c3ccccc3Cl)cnc2n1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C25H24Cl2N4O/c1-3-4-9-22-30-23-16(2)21(29-25(32)19-7-5-6-8-20(19)27)14-28-24(23)31(22)15-17-10-12-18(26)13-11-17/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,29,32)
• InChIKey: VSXXHIVAAHRFQS-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.40
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide?

The IUPAC name of N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide (CID 3212401) is N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide.

What is the SMILES notation for N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide?

The canonical SMILES for N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide is CCCCc1nc2c(C)c(NC(=O)c3ccccc3Cl)cnc2n1Cc1ccc(Cl)cc1.

What is the InChIKey of N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide?

The InChIKey is VSXXHIVAAHRFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-3-4-9-22-30-23-16(2)21(29-25(32)19-7-5-6-8-20(19)27)14-28-24(23)31(22)15-17-10-12-18(26)13-11-17/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,29,32).

What are the key properties of N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide?

N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide has a molecular weight of 467.40 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide is sourced from PubChem (CID 3212401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).