N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C27H32N6O5 — CID 25227048

About N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 25227048) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
• PubChem CID: 25227048
• Molecular Formula: C27H32N6O5
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.24
• IUPAC Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
• SMILES: COc1ccc2c(c1)CCN(C1CCN(C(=O)CN(C)C(=O)c3cc(C)c4[nH]c(=O)[nH]c4c3)CC1)C(=O)N2
• InChI: InChI=1S/C27H32N6O5/c1-16-12-18(14-22-24(16)30-26(36)28-22)25(35)31(2)15-23(34)32-9-7-19(8-10-32)33-11-6-17-13-20(38-3)4-5-21(17)29-27(33)37/h4-5,12-14,19H,6-11,15H2,1-3H3,(H,29,37)(H2,28,30,36)
• InChIKey: DLKZPMXSKDKRBW-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 130.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?

The IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 25227048) is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

What is the SMILES notation for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?

The canonical SMILES for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is COc1ccc2c(c1)CCN(C1CCN(C(=O)CN(C)C(=O)c3cc(C)c4[nH]c(=O)[nH]c4c3)CC1)C(=O)N2.

What is the InChIKey of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?

The InChIKey is DLKZPMXSKDKRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-16-12-18(14-22-24(16)30-26(36)28-22)25(35)31(2)15-23(34)32-9-7-19(8-10-32)33-11-6-17-13-20(38-3)4-5-21(17)29-27(33)37/h4-5,12-14,19H,6-11,15H2,1-3H3,(H,29,37)(H2,28,30,36).

What are the key properties of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 25227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).