N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C24H26N4O4 — CID 17029186

About N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 17029186) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
• PubChem CID: 17029186
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
• SMILES: O=C(Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21)Nc1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H26N4O4/c29-23(26-17-10-11-20-21(12-17)32-15-31-20)14-28-19-9-5-4-8-18(19)27-22(28)13-25-24(30)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,25,30)(H,26,29)
• InChIKey: JFWRXAGOUFAAOP-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?

The IUPAC name of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 17029186) is N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?

The canonical SMILES for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is O=C(Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21)Nc1ccc2c(c1)OCO2.

What is the InChIKey of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?

The InChIKey is JFWRXAGOUFAAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-23(26-17-10-11-20-21(12-17)32-15-31-20)14-28-19-9-5-4-8-18(19)27-22(28)13-25-24(30)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,25,30)(H,26,29).

What are the key properties of N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?

N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 17029186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).