7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one

C73H55Cl6FN12O7 — CID 160604439

About 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one

7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one (PubChem CID 160604439) has the molecular formula C73H55Cl6FN12O7 and a molecular weight of 1444.04 g/mol. Its IUPAC name is 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one
• PubChem CID: 160604439
• Molecular Formula: C73H55Cl6FN12O7
• Molecular Weight: 1444.04 g/mol
• Exact Mass: 1440.24
• IUPAC Name: 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one
• SMILES: CN1C(=O)C(Cc2ccccc2Cl)N=C(c2ccc3[nH]c(=O)n(C)c3c2)c2cc(Cl)ccc21.Cn1c(=O)[nH]c2ccc(C3=NC(Cc4ccccc4Cl)C(=O)Nc4c(F)cc(Cl)cc43)cc21.Cn1c(=O)[nH]c2ccc(C3=NC(Cc4ccccc4Cl)C(=O)Nc4c(O)cc(Cl)cc43)cc21
• InChI: InChI=1S/C25H20Cl2N4O2.C24H17Cl2FN4O2.C24H18Cl2N4O3/c1-30-21-10-8-16(26)13-17(21)23(15-7-9-19-22(12-15)31(2)25(33)29-19)28-20(24(30)32)11-14-5-3-4-6-18(14)27;1-31-20-9-13(6-7-18(20)29-24(31)33)21-15-10-14(25)11-17(27)22(15)30-23(32)19(28-21)8-12-4-2-3-5-16(12)26;1-30-19-9-13(6-7-17(19)28-24(30)33)21-15-10-14(25)11-20(31)22(15)29-23(32)18(27-21)8-12-4-2-3-5-16(12)26/h3-10,12-13,20H,11H2,1-2H3,(H,29,33);2-7,9-11,19H,8H2,1H3,(H,29,33)(H,30,32);2-7,9-11,18,31H,8H2,1H3,(H,28,33)(H,29,32)
• InChIKey: RERRHUNFSNYJIS-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 249.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1444.04
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one?

The IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one (CID 160604439) is 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one.

What is the SMILES notation for 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one?

The canonical SMILES for 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one is CN1C(=O)C(Cc2ccccc2Cl)N=C(c2ccc3[nH]c(=O)n(C)c3c2)c2cc(Cl)ccc21.Cn1c(=O)[nH]c2ccc(C3=NC(Cc4ccccc4Cl)C(=O)Nc4c(F)cc(Cl)cc43)cc21.Cn1c(=O)[nH]c2ccc(C3=NC(Cc4ccccc4Cl)C(=O)Nc4c(O)cc(Cl)cc43)cc21.

What is the InChIKey of 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one?

The InChIKey is RERRHUNFSNYJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2.C24H17Cl2FN4O2.C24H18Cl2N4O3/c1-30-21-10-8-16(26)13-17(21)23(15-7-9-19-22(12-15)31(2)25(33)29-19)28-20(24(30)32)11-14-5-3-4-6-18(14)27;1-31-20-9-13(6-7-18(20)29-24(31)33)21-15-10-14(25)11-17(27)22(15)30-23(32)19(28-21)8-12-4-2-3-5-16(12)26;1-30-19-9-13(6-7-17(19)28-24(30)33)21-15-10-14(25)11-20(31)22(15)29-23(32)18(27-21)8-12-4-2-3-5-16(12)26/h3-10,12-13,20H,11H2,1-2H3,(H,29,33);2-7,9-11,19H,8H2,1H3,(H,29,33)(H,30,32);2-7,9-11,18,31H,8H2,1H3,(H,28,33)(H,29,32).

What are the key properties of 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one?

7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 1444.04 g/mol, XLogP of 13.59, 9 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[(2-chlorophenyl)methyl]-9-fluoro-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-9-hydroxy-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chlorophenyl)methyl]-1-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 160604439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).