7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C23H29Cl2N3O — CID 11743627

About 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 11743627) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
• PubChem CID: 11743627
• Molecular Formula: C23H29Cl2N3O
• Molecular Weight: 434.41 g/mol
• Exact Mass: 433.17
• IUPAC Name: 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
• SMILES: CCCN(CCC)CCN1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1Cl
• InChI: InChI=1S/C23H29Cl2N3O/c1-3-11-27(12-4-2)13-14-28-16-22(29)26-21-10-9-17(24)15-19(21)23(28)18-7-5-6-8-20(18)25/h5-10,15,23H,3-4,11-14,16H2,1-2H3,(H,26,29)
• InChIKey: YMNQRDPAMLULOY-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.41
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?

The IUPAC name of 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 11743627) is 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?

The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CCCN(CCC)CCN1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1Cl.

What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?

The InChIKey is YMNQRDPAMLULOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O/c1-3-11-27(12-4-2)13-14-28-16-22(29)26-21-10-9-17(24)15-19(21)23(28)18-7-5-6-8-20(18)25/h5-10,15,23H,3-4,11-14,16H2,1-2H3,(H,26,29).

What are the key properties of 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?

7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 434.41 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 11743627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).