N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

C30H33N5O2 — CID 16966475

About N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 16966475) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 16966475
• Molecular Formula: C30H33N5O2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.26
• IUPAC Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: O=C(NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1ccccn1
• InChI: InChI=1S/C30H33N5O2/c36-29(34(24-13-5-2-6-14-24)21-23-11-3-1-4-12-23)22-35-27-17-8-7-15-25(27)33-28(35)18-20-32-30(37)26-16-9-10-19-31-26/h1,3-4,7-12,15-17,19,24H,2,5-6,13-14,18,20-22H2,(H,32,37)
• InChIKey: IGVGAUBCDOCKOQ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (CID 16966475) is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is O=C(NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1ccccn1.

What is the InChIKey of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is IGVGAUBCDOCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c36-29(34(24-13-5-2-6-14-24)21-23-11-3-1-4-12-23)22-35-27-17-8-7-15-25(27)33-28(35)18-20-32-30(37)26-16-9-10-19-31-26/h1,3-4,7-12,15-17,19,24H,2,5-6,13-14,18,20-22H2,(H,32,37).

What are the key properties of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).