6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H24N6O — CID 135862296

About 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862296) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862296
• Molecular Formula: C21H24N6O
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.20
• IUPAC Name: 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1c(CN2CCc3nc(C4=NCCCC4)[nH]c(=O)c3C2)nc2ccccc21
• InChI: InChI=1S/C21H24N6O/c1-26-18-8-3-2-6-16(18)23-19(26)13-27-11-9-15-14(12-27)21(28)25-20(24-15)17-7-4-5-10-22-17/h2-3,6,8H,4-5,7,9-13H2,1H3,(H,24,25,28)
• InChIKey: XIFORAZQZXWRRN-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 79.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862296) is 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cn1c(CN2CCc3nc(C4=NCCCC4)[nH]c(=O)c3C2)nc2ccccc21.

What is the InChIKey of 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is XIFORAZQZXWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-18-8-3-2-6-16(18)23-19(26)13-27-11-9-15-14(12-27)21(28)25-20(24-15)17-7-4-5-10-22-17/h2-3,6,8H,4-5,7,9-13H2,1H3,(H,24,25,28).

What are the key properties of 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).