4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C26H26N6O2 — CID 135553382

About 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135553382) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
• PubChem CID: 135553382
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
• SMILES: Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC(CO)CCc4ccccc4)cc[nH]c3=O)nc12
• InChI: InChI=1S/C26H26N6O2/c1-17-13-20(32-12-11-27-16-32)14-22-24(17)31-25(30-22)23-21(9-10-28-26(23)34)29-19(15-33)8-7-18-5-3-2-4-6-18/h2-6,9-14,16,19,33H,7-8,15H2,1H3,(H,30,31)(H2,28,29,34)
• InChIKey: KYERNVUPEXWOLO-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 111.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?

The IUPAC name of 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135553382) is 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

What is the SMILES notation for 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?

The canonical SMILES for 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC(CO)CCc4ccccc4)cc[nH]c3=O)nc12.

What is the InChIKey of 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?

The InChIKey is KYERNVUPEXWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-13-20(32-12-11-27-16-32)14-22-24(17)31-25(30-22)23-21(9-10-28-26(23)34)29-19(15-33)8-7-18-5-3-2-4-6-18/h2-6,9-14,16,19,33H,7-8,15H2,1H3,(H,30,31)(H2,28,29,34).

What are the key properties of 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?

4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 454.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1-hydroxy-4-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135553382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).