ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane

C28H34N6O4 — CID 160854815

About ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane

ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane (PubChem CID 160854815) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane.

Molecular Properties

• Compound Name: ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
• PubChem CID: 160854815
• Molecular Formula: C28H34N6O4
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.26
• IUPAC Name: ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
• SMILES: C.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CCN4CCOCC4)c(=O)c3)cc2[nH]1
• InChI: InChI=1S/C27H30N6O4.CH4/c1-3-37-27(35)31-26-29-23-16-20(15-21(25(23)30-26)22-6-4-5-7-28-22)19-14-18(2)33(24(34)17-19)9-8-32-10-12-36-13-11-32;/h4-7,14-17H,3,8-13H2,1-2H3,(H2,29,30,31,35);1H4
• InChIKey: SJSNXCGWAADJFI-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 114.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane?

The IUPAC name of ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane (CID 160854815) is ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane.

What is the SMILES notation for ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane?

The canonical SMILES for ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane is C.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CCN4CCOCC4)c(=O)c3)cc2[nH]1.

What is the InChIKey of ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane?

The InChIKey is SJSNXCGWAADJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4.CH4/c1-3-37-27(35)31-26-29-23-16-20(15-21(25(23)30-26)22-6-4-5-7-28-22)19-14-18(2)33(24(34)17-19)9-8-32-10-12-36-13-11-32;/h4-7,14-17H,3,8-13H2,1-2H3,(H2,29,30,31,35);1H4.

What are the key properties of ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane?

ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane has a molecular weight of 518.62 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane is sourced from PubChem (CID 160854815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).