5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C24H27ClN4O — CID 131643924

About 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 131643924) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 131643924
• Molecular Formula: C24H27ClN4O
• Molecular Weight: 422.96 g/mol
• Exact Mass: 422.19
• IUPAC Name: 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl
• InChI: InChI=1S/C24H27ClN4O/c1-16(2)29-15-26-21-11-12-28(14-18-7-5-4-6-8-18)23(22(21)29)24(30)27-19-10-9-17(3)20(25)13-19/h4-10,13,15-16,23H,11-12,14H2,1-3H3,(H,27,30)
• InChIKey: SMJXCJMQMMITMZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 131643924) is 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1ccc(NC(=O)C2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl.

What is the InChIKey of 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is SMJXCJMQMMITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16(2)29-15-26-21-11-12-28(14-18-7-5-4-6-8-18)23(22(21)29)24(30)27-19-10-9-17(3)20(25)13-19/h4-10,13,15-16,23H,11-12,14H2,1-3H3,(H,27,30).

What are the key properties of 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 131643924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).