4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide

C30H34N6O3 — CID 11398386

About 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide

4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide (PubChem CID 11398386) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
• PubChem CID: 11398386
• Molecular Formula: C30H34N6O3
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.27
• IUPAC Name: 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
• SMILES: CC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCNC1=O
• InChI: InChI=1S/C30H34N6O3/c1-20(27(37)22-6-3-2-4-7-22)24-12-13-26-25(18-24)33-29(34-28(38)23-10-8-21(19-31)9-11-23)36(26)16-5-15-35-17-14-32-30(35)39/h8-13,18,20,22H,2-7,14-17H2,1H3,(H,32,39)(H,33,34,38)
• InChIKey: RQMRMDYEWRFWLK-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 120.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide?

The IUPAC name of 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide (CID 11398386) is 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide.

What is the SMILES notation for 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide?

The canonical SMILES for 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide is CC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCNC1=O.

What is the InChIKey of 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide?

The InChIKey is RQMRMDYEWRFWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-20(27(37)22-6-3-2-4-7-22)24-12-13-26-25(18-24)33-29(34-28(38)23-10-8-21(19-31)9-11-23)36(26)16-5-15-35-17-14-32-30(35)39/h8-13,18,20,22H,2-7,14-17H2,1H3,(H,32,39)(H,33,34,38).

What are the key properties of 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide?

4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide has a molecular weight of 526.64 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 11398386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).