2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide

C25H25N3O2 — CID 16970174

About 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide

2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16970174) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
• PubChem CID: 16970174
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
• SMILES: C=C(C)C(=O)NC(C)c1nc2ccccc2n1CCOc1cccc2ccccc12
• InChI: InChI=1S/C25H25N3O2/c1-17(2)25(29)26-18(3)24-27-21-12-6-7-13-22(21)28(24)15-16-30-23-14-8-10-19-9-4-5-11-20(19)23/h4-14,18H,1,15-16H2,2-3H3,(H,26,29)
• InChIKey: LIPYWSJOILUBMW-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?

The IUPAC name of 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16970174) is 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide.

What is the SMILES notation for 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?

The canonical SMILES for 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide is C=C(C)C(=O)NC(C)c1nc2ccccc2n1CCOc1cccc2ccccc12.

What is the InChIKey of 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?

The InChIKey is LIPYWSJOILUBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(2)25(29)26-18(3)24-27-21-12-6-7-13-22(21)28(24)15-16-30-23-14-8-10-19-9-4-5-11-20(19)23/h4-14,18H,1,15-16H2,2-3H3,(H,26,29).

What are the key properties of 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?

2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 399.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16970174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).