7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one

C78H67Cl5N12O6 — CID 159796434

About 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one

7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one (PubChem CID 159796434) has the molecular formula C78H67Cl5N12O6 and a molecular weight of 1445.74 g/mol. Its IUPAC name is 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one
• PubChem CID: 159796434
• Molecular Formula: C78H67Cl5N12O6
• Molecular Weight: 1445.74 g/mol
• Exact Mass: 1442.37
• IUPAC Name: 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one
• SMILES: Cc1ccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c(Cl)c1.Cc1cccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c1.Cc1cccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c1Cl
• InChI: InChI=1S/2C26H22Cl2N4O2.C26H23ClN4O2/c1-14-4-5-15(19(28)10-14)11-21-25(33)31(2)22-9-7-17(27)13-18(22)24(29-21)16-6-8-23-20(12-16)30-26(34)32(23)3;1-14-5-4-6-15(23(14)28)11-20-25(33)31(2)21-10-8-17(27)13-18(21)24(29-20)16-7-9-22-19(12-16)30-26(34)32(22)3;1-15-5-4-6-16(11-15)12-21-25(32)30(2)22-10-8-18(27)14-19(22)24(28-21)17-7-9-23-20(13-17)29-26(33)31(23)3/h4-10,12-13,21H,11H2,1-3H3,(H,30,34);4-10,12-13,20H,11H2,1-3H3,(H,30,34);4-11,13-14,21H,12H2,1-3H3,(H,29,33)
• InChIKey: NJFQHVQMWSHQJS-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 211.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.74
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one (CID 159796434) is 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one.

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

The canonical SMILES for 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one is Cc1ccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c(Cl)c1.Cc1cccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c1.Cc1cccc(CC2N=C(c3ccc4c(c3)[nH]c(=O)n4C)c3cc(Cl)ccc3N(C)C2=O)c1Cl.

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

The InChIKey is NJFQHVQMWSHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22Cl2N4O2.C26H23ClN4O2/c1-14-4-5-15(19(28)10-14)11-21-25(33)31(2)22-9-7-17(27)13-18(22)24(29-21)16-6-8-23-20(12-16)30-26(34)32(23)3;1-14-5-4-6-15(23(14)28)11-20-25(33)31(2)21-10-8-17(27)13-18(21)24(29-20)16-7-9-22-19(12-16)30-26(34)32(22)3;1-15-5-4-6-16(11-15)12-21-25(32)30(2)22-10-8-18(27)14-19(22)24(28-21)17-7-9-23-20(13-17)29-26(33)31(23)3/h4-10,12-13,21H,11H2,1-3H3,(H,30,34);4-10,12-13,20H,11H2,1-3H3,(H,30,34);4-11,13-14,21H,12H2,1-3H3,(H,29,33).

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

7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one has a molecular weight of 1445.74 g/mol, XLogP of 14.07, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[(2-chloro-3-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-3-[(2-chloro-4-methylphenyl)methyl]-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-5-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-[(3-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 159796434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).