3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

C20H23N7O — CID 18116717

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 18116717) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
• PubChem CID: 18116717
• Molecular Formula: C20H23N7O
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.20
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
• SMILES: CCn1c(CNC(=O)CCc2c(C)nc3ncnn3c2C)nc2ccccc21
• InChI: InChI=1S/C20H23N7O/c1-4-26-17-8-6-5-7-16(17)25-18(26)11-21-19(28)10-9-15-13(2)24-20-22-12-23-27(20)14(15)3/h5-8,12H,4,9-11H2,1-3H3,(H,21,28)
• InChIKey: QCHRFRFGKWIIQG-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (CID 18116717) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is CCn1c(CNC(=O)CCc2c(C)nc3ncnn3c2C)nc2ccccc21.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?

The InChIKey is QCHRFRFGKWIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-4-26-17-8-6-5-7-16(17)25-18(26)11-21-19(28)10-9-15-13(2)24-20-22-12-23-27(20)14(15)3/h5-8,12H,4,9-11H2,1-3H3,(H,21,28).

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 18116717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).