7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one

C26H24Cl2N4O — CID 46947236

About 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 46947236) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one
• PubChem CID: 46947236
• Molecular Formula: C26H24Cl2N4O
• Molecular Weight: 479.41 g/mol
• Exact Mass: 478.13
• IUPAC Name: 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one
• SMILES: CC1CCN(c2ccc(C3=NC(c4ccccc4Cl)C(=O)Nc4ccc(Cl)cc43)cn2)CC1
• InChI: InChI=1S/C26H24Cl2N4O/c1-16-10-12-32(13-11-16)23-9-6-17(15-29-23)24-20-14-18(27)7-8-22(20)30-26(33)25(31-24)19-4-2-3-5-21(19)28/h2-9,14-16,25H,10-13H2,1H3,(H,30,33)
• InChIKey: JBWTXDIAMYCMNL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 57.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.41
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one?

The IUPAC name of 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 46947236) is 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one.

What is the SMILES notation for 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one?

The canonical SMILES for 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one is CC1CCN(c2ccc(C3=NC(c4ccccc4Cl)C(=O)Nc4ccc(Cl)cc43)cn2)CC1.

What is the InChIKey of 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one?

The InChIKey is JBWTXDIAMYCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O/c1-16-10-12-32(13-11-16)23-9-6-17(15-29-23)24-20-14-18(27)7-8-22(20)30-26(33)25(31-24)19-4-2-3-5-21(19)28/h2-9,14-16,25H,10-13H2,1H3,(H,30,33).

What are the key properties of 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one?

7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 479.41 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 46947236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).