N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C28H35N3O4 — CID 16975412

About N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16975412) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
• PubChem CID: 16975412
• Molecular Formula: C28H35N3O4
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.26
• IUPAC Name: N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
• SMILES: C/C=C/c1ccc(OCCCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)c(OC)c1
• InChI: InChI=1S/C28H35N3O4/c1-3-9-21-13-14-24(26(20-21)33-2)34-18-7-6-17-31-23-11-5-4-10-22(23)30-27(31)15-16-29-28(32)25-12-8-19-35-25/h3-5,9-11,13-14,20,25H,6-8,12,15-19H2,1-2H3,(H,29,32)/b9-3+
• InChIKey: UOMOVEVVAHAUKP-YCRREMRBSA-N
• XLogP: 4.77
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?

The IUPAC name of N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 16975412) is N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?

The canonical SMILES for N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is C/C=C/c1ccc(OCCCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)c(OC)c1.

What is the InChIKey of N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?

The InChIKey is UOMOVEVVAHAUKP-YCRREMRBSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-3-9-21-13-14-24(26(20-21)33-2)34-18-7-6-17-31-23-11-5-4-10-22(23)30-27(31)15-16-29-28(32)25-12-8-19-35-25/h3-5,9-11,13-14,20,25H,6-8,12,15-19H2,1-2H3,(H,29,32)/b9-3+.

What are the key properties of N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?

N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16975412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).