N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide

C27H25ClN4O — CID 16729609

About N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide

N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide (PubChem CID 16729609) has the molecular formula C27H25ClN4O and a molecular weight of 456.98 g/mol. Its IUPAC name is N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide
• PubChem CID: 16729609
• Molecular Formula: C27H25ClN4O
• Molecular Weight: 456.98 g/mol
• Exact Mass: 456.17
• IUPAC Name: N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide
• SMILES: O=C(NCc1ccccc1)c1ccc(C2c3nc[nH]c3CCN2Cc2cccc(Cl)c2)cc1
• InChI: InChI=1S/C27H25ClN4O/c28-23-8-4-7-20(15-23)17-32-14-13-24-25(31-18-30-24)26(32)21-9-11-22(12-10-21)27(33)29-16-19-5-2-1-3-6-19/h1-12,15,18,26H,13-14,16-17H2,(H,29,33)(H,30,31)
• InChIKey: UVVQIXMRMAMSGI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.98
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide?

The IUPAC name of N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide (CID 16729609) is N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide.

What is the SMILES notation for N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide?

The canonical SMILES for N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide is O=C(NCc1ccccc1)c1ccc(C2c3nc[nH]c3CCN2Cc2cccc(Cl)c2)cc1.

What is the InChIKey of N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide?

The InChIKey is UVVQIXMRMAMSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O/c28-23-8-4-7-20(15-23)17-32-14-13-24-25(31-18-30-24)26(32)21-9-11-22(12-10-21)27(33)29-16-19-5-2-1-3-6-19/h1-12,15,18,26H,13-14,16-17H2,(H,29,33)(H,30,31).

What are the key properties of N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide?

N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide has a molecular weight of 456.98 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 16729609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).