(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C21H23N7O — CID 154796770

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 154796770) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 154796770
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C)n2nc(C(=O)N3CCCC3Cn3c(C)nc4ccccc43)nc2n1
• InChI: InChI=1S/C21H23N7O/c1-13-11-14(2)28-21(22-13)24-19(25-28)20(29)26-10-6-7-16(26)12-27-15(3)23-17-8-4-5-9-18(17)27/h4-5,8-9,11,16H,6-7,10,12H2,1-3H3
• InChIKey: BSGWUAWHXQXZQX-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 154796770) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCCC3Cn3c(C)nc4ccccc43)nc2n1.

What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is BSGWUAWHXQXZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-11-14(2)28-21(22-13)24-19(25-28)20(29)26-10-6-7-16(26)12-27-15(3)23-17-8-4-5-9-18(17)27/h4-5,8-9,11,16H,6-7,10,12H2,1-3H3.

What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154796770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).