7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

C28H24ClN3O2 — CID 51030981

About 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 51030981) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
• PubChem CID: 51030981
• Molecular Formula: C28H24ClN3O2
• Molecular Weight: 469.97 g/mol
• Exact Mass: 469.16
• IUPAC Name: 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
• SMILES: CC1C(=O)Nc2cc(C3=NC(Cc4ccc(C5CC5)cc4)C(=O)Nc4ccc(Cl)cc43)ccc21
• InChI: InChI=1S/C28H24ClN3O2/c1-15-21-10-8-19(13-24(21)32-27(15)33)26-22-14-20(29)9-11-23(22)31-28(34)25(30-26)12-16-2-4-17(5-3-16)18-6-7-18/h2-5,8-11,13-15,18,25H,6-7,12H2,1H3,(H,31,34)(H,32,33)
• InChIKey: OIWFOWOCVCQSLO-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.97
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?

The IUPAC name of 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 51030981) is 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.

What is the SMILES notation for 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?

The canonical SMILES for 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is CC1C(=O)Nc2cc(C3=NC(Cc4ccc(C5CC5)cc4)C(=O)Nc4ccc(Cl)cc43)ccc21.

What is the InChIKey of 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?

The InChIKey is OIWFOWOCVCQSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-15-21-10-8-19(13-24(21)32-27(15)33)26-22-14-20(29)9-11-23(22)31-28(34)25(30-26)12-16-2-4-17(5-3-16)18-6-7-18/h2-5,8-11,13-15,18,25H,6-7,12H2,1H3,(H,31,34)(H,32,33).

What are the key properties of 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?

7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 469.97 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 51030981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).