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

C23H24N6O — CID 135942735

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

2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942735) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135942735
• Molecular Formula: C23H24N6O
• Molecular Weight: 400.49 g/mol
• Exact Mass: 400.20
• IUPAC Name: 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCn1c(CN2CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C2)nc2ccccc21
• InChI: InChI=1S/C23H24N6O/c1-2-29-20-6-4-3-5-19(20)25-21(29)14-28-12-11-18-17(13-28)23(30)27-22(26-18)15-7-9-16(24)10-8-15/h3-10H,2,11-14,24H2,1H3,(H,26,27,30)
• InChIKey: OZDIGXJWXFLSPI-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 92.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942735) is 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1c(CN2CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C2)nc2ccccc21.

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

The InChIKey is OZDIGXJWXFLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-29-20-6-4-3-5-19(20)25-21(29)14-28-12-11-18-17(13-28)23(30)27-22(26-18)15-7-9-16(24)10-8-15/h3-10H,2,11-14,24H2,1H3,(H,26,27,30).

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

2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 400.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).