N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C25H31N3O2 — CID 16975190

About N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16975190) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 16975190
• Molecular Formula: C25H31N3O2
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.24
• IUPAC Name: N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
• SMILES: Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)C3CC3)nc3ccccc32)c1
• InChI: InChI=1S/C25H31N3O2/c1-17(2)20-11-8-18(3)16-23(20)30-15-14-28-22-7-5-4-6-21(22)27-24(28)12-13-26-25(29)19-9-10-19/h4-8,11,16-17,19H,9-10,12-15H2,1-3H3,(H,26,29)
• InChIKey: SJVOJVLZACTHCC-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16975190) is N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)C3CC3)nc3ccccc32)c1.

What is the InChIKey of N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

The InChIKey is SJVOJVLZACTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)20-11-8-18(3)16-23(20)30-15-14-28-22-7-5-4-6-21(22)27-24(28)12-13-26-25(29)19-9-10-19/h4-8,11,16-17,19H,9-10,12-15H2,1-3H3,(H,26,29).

What are the key properties of N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?

N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).