1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea

C26H27N3O2 — CID 53099569

About 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea (PubChem CID 53099569) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

• Compound Name: 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
• PubChem CID: 53099569
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
• SMILES: Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)c1
• InChI: InChI=1S/C26H27N3O2/c1-17-11-18(2)13-23(12-17)28-26(31)27-16-20-9-10-22-14-19(3)29(24(22)15-20)25(30)21-7-5-4-6-8-21/h4-13,15,19H,14,16H2,1-3H3,(H2,27,28,31)
• InChIKey: DSNMJPLISQAYMT-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea?

The IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea (CID 53099569) is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea.

What is the SMILES notation for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea?

The canonical SMILES for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)c1.

What is the InChIKey of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea?

The InChIKey is DSNMJPLISQAYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-11-18(2)13-23(12-17)28-26(31)27-16-20-9-10-22-14-19(3)29(24(22)15-20)25(30)21-7-5-4-6-8-21/h4-13,15,19H,14,16H2,1-3H3,(H2,27,28,31).

What are the key properties of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea?

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 413.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 53099569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).