bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane

C109H112Cl4N14O8 — CID 159045758

About bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane

bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane (PubChem CID 159045758) has the molecular formula C109H112Cl4N14O8 and a molecular weight of 1888.00 g/mol. Its IUPAC name is bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane.

Molecular Properties

• Compound Name: bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane
• PubChem CID: 159045758
• Molecular Formula: C109H112Cl4N14O8
• Molecular Weight: 1888.00 g/mol
• Exact Mass: 1884.75
• IUPAC Name: bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane
• SMILES: CC.CC.CC.CC.CC(C)(C)CC(=O)Nc1ccc(C2=NC(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc32)cc1.CC(C)CC(=O)Nc1ccc(C2=NC(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc32)cc1.O=C1Nc2ccc(Cl)cc2C(c2ccc3[nH]c(=O)[nH]c3c2)=NC1Cc1ccccc1.O=C1Nc2ccc(Cl)cc2C(c2ccc3[nH]c(=O)[nH]c3c2)=NC1Cc1ccccc1
• InChI: InChI=1S/C28H28ClN3O2.C27H26ClN3O2.2C23H17ClN4O2.4C2H6/c1-28(2,3)17-25(33)30-21-12-9-19(10-13-21)26-22-16-20(29)11-14-23(22)32-27(34)24(31-26)15-18-7-5-4-6-8-18;1-17(2)14-25(32)29-21-11-8-19(9-12-21)26-22-16-20(28)10-13-23(22)31-27(33)24(30-26)15-18-6-4-3-5-7-18;2*24-15-7-9-17-16(12-15)21(14-6-8-18-19(11-14)28-23(30)27-18)25-20(22(29)26-17)10-13-4-2-1-3-5-13;4*1-2/h4-14,16,24H,15,17H2,1-3H3,(H,30,33)(H,32,34);3-13,16-17,24H,14-15H2,1-2H3,(H,29,32)(H,31,33);2*1-9,11-12,20H,10H2,(H,26,29)(H2,27,28,30);4*1-2H3
• InChIKey: JWPZNTUWFQSUFX-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 321.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.00
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane?

The IUPAC name of bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane (CID 159045758) is bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane.

What is the SMILES notation for bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane?

The canonical SMILES for bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane is CC.CC.CC.CC.CC(C)(C)CC(=O)Nc1ccc(C2=NC(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc32)cc1.CC(C)CC(=O)Nc1ccc(C2=NC(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc32)cc1.O=C1Nc2ccc(Cl)cc2C(c2ccc3[nH]c(=O)[nH]c3c2)=NC1Cc1ccccc1.O=C1Nc2ccc(Cl)cc2C(c2ccc3[nH]c(=O)[nH]c3c2)=NC1Cc1ccccc1.

What is the InChIKey of bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane?

The InChIKey is JWPZNTUWFQSUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O2.C27H26ClN3O2.2C23H17ClN4O2.4C2H6/c1-28(2,3)17-25(33)30-21-12-9-19(10-13-21)26-22-16-20(29)11-14-23(22)32-27(34)24(31-26)15-18-7-5-4-6-8-18;1-17(2)14-25(32)29-21-11-8-19(9-12-21)26-22-16-20(28)10-13-23(22)31-27(33)24(30-26)15-18-6-4-3-5-7-18;2*24-15-7-9-17-16(12-15)21(14-6-8-18-19(11-14)28-23(30)27-18)25-20(22(29)26-17)10-13-4-2-1-3-5-13;4*1-2/h4-14,16,24H,15,17H2,1-3H3,(H,30,33)(H,32,34);3-13,16-17,24H,14-15H2,1-2H3,(H,29,32)(H,31,33);2*1-9,11-12,20H,10H2,(H,26,29)(H2,27,28,30);4*1-2H3.

What are the key properties of bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane?

bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane has a molecular weight of 1888.00 g/mol, XLogP of 23.77, 17 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-benzyl-7-chloro-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one);N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3,3-dimethylbutanamide;N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-3-methylbutanamide;ethane is sourced from PubChem (CID 159045758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).