4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C21H24N4O2 — CID 95226071

About 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95226071) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 95226071
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)c(=O)[nH]1
• InChI: InChI=1S/C21H24N4O2/c1-12-6-4-8-16-18(12)24-19(23-16)15-7-5-9-25(11-15)21(27)17-13(2)10-14(3)22-20(17)26/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H,22,26)(H,23,24)/t15-/m1/s1
• InChIKey: OJTJCOPVZZWCMG-OAHLLOKOSA-N
• XLogP: 3.20
• TPSA: 81.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 95226071) is 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)c(=O)[nH]1.

What is the InChIKey of 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is OJTJCOPVZZWCMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-12-6-4-8-16-18(12)24-19(23-16)15-7-5-9-25(11-15)21(27)17-13(2)10-14(3)22-20(17)26/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H,22,26)(H,23,24)/t15-/m1/s1.

What are the key properties of 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95226071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).