4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C31H29N5O3 — CID 89129903

About 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 89129903) has the molecular formula C31H29N5O3 and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
• PubChem CID: 89129903
• Molecular Formula: C31H29N5O3
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.23
• IUPAC Name: 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
• SMILES: C=Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCc5cccc(OC)c5)c4)ccc3n2C)cc1
• InChI: InChI=1S/C31H29N5O3/c1-4-21-8-10-23(11-9-21)34-31-35-27-19-25(12-13-29(27)36(31)2)39-26-15-17-32-28(20-26)30(37)33-16-14-22-6-5-7-24(18-22)38-3/h4-13,15,17-20H,1,14,16H2,2-3H3,(H,33,37)(H,34,35)
• InChIKey: LIJPYYFNRUSTJZ-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 89129903) is 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is C=Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCc5cccc(OC)c5)c4)ccc3n2C)cc1.

What is the InChIKey of 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?

The InChIKey is LIJPYYFNRUSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3/c1-4-21-8-10-23(11-9-21)34-31-35-27-19-25(12-13-29(27)36(31)2)39-26-15-17-32-28(20-26)30(37)33-16-14-22-6-5-7-24(18-22)38-3/h4-13,15,17-20H,1,14,16H2,2-3H3,(H,33,37)(H,34,35).

What are the key properties of 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?

4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 89129903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).