3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide

C28H29N3O4 — CID 17009818

About 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide

3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009818) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17009818
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: COc1cc(C(=O)NC(C)c2nc3ccccc3n2C/C=C/c2ccccc2)cc(OC)c1OC
• InChI: InChI=1S/C28H29N3O4/c1-19(29-28(32)21-17-24(33-2)26(35-4)25(18-21)34-3)27-30-22-14-8-9-15-23(22)31(27)16-10-13-20-11-6-5-7-12-20/h5-15,17-19H,16H2,1-4H3,(H,29,32)/b13-10+
• InChIKey: CJWNRRWYIMKUOD-JLHYYAGUSA-N
• XLogP: 5.27
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009818) is 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3n2C/C=C/c2ccccc2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is CJWNRRWYIMKUOD-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-19(29-28(32)21-17-24(33-2)26(35-4)25(18-21)34-3)27-30-22-14-8-9-15-23(22)31(27)16-10-13-20-11-6-5-7-12-20/h5-15,17-19H,16H2,1-4H3,(H,29,32)/b13-10+.

What are the key properties of 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide?

3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 471.56 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).