5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

C38H46N6O5 — CID 170695213

About 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 170695213) has the molecular formula C38H46N6O5 and a molecular weight of 666.82 g/mol. Its IUPAC name is 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

• Compound Name: 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
• PubChem CID: 170695213
• Molecular Formula: C38H46N6O5
• Molecular Weight: 666.82 g/mol
• Exact Mass: 666.35
• IUPAC Name: 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
• SMILES: CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(C(=O)C3CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C38H46N6O5/c1-6-43(28-11-13-49-14-12-28)33-18-27(16-30(24(33)4)35(45)39-19-31-22(2)15-23(3)40-36(31)46)26-9-10-32-34(17-26)41(5)38(48)44(32)29-20-42(21-29)37(47)25-7-8-25/h9-10,15-18,25,28-29H,6-8,11-14,19-21H2,1-5H3,(H,39,45)(H,40,46)
• InChIKey: ONWVCHXJLGGJKI-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 121.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.82
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The IUPAC name of 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 170695213) is 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

What is the SMILES notation for 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The canonical SMILES for 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(C(=O)C3CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.

What is the InChIKey of 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The InChIKey is ONWVCHXJLGGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O5/c1-6-43(28-11-13-49-14-12-28)33-18-27(16-30(24(33)4)35(45)39-19-31-22(2)15-23(3)40-36(31)46)26-9-10-32-34(17-26)41(5)38(48)44(32)29-20-42(21-29)37(47)25-7-8-25/h9-10,15-18,25,28-29H,6-8,11-14,19-21H2,1-5H3,(H,39,45)(H,40,46).

What are the key properties of 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 666.82 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 170695213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).