7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C17H18N6O2 — CID 50960317

About 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 50960317) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 50960317
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
• SMILES: Cc1nc2ccc(CC(=O)N3CCn4c(C(N)=O)cnc4C3)cc2[nH]1
• InChI: InChI=1S/C17H18N6O2/c1-10-20-12-3-2-11(6-13(12)21-10)7-16(24)22-4-5-23-14(17(18)25)8-19-15(23)9-22/h2-3,6,8H,4-5,7,9H2,1H3,(H2,18,25)(H,20,21)
• InChIKey: JBZLMWPZIZCKAC-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 109.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 50960317) is 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is Cc1nc2ccc(CC(=O)N3CCn4c(C(N)=O)cnc4C3)cc2[nH]1.

What is the InChIKey of 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is JBZLMWPZIZCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-20-12-3-2-11(6-13(12)21-10)7-16(24)22-4-5-23-14(17(18)25)8-19-15(23)9-22/h2-3,6,8H,4-5,7,9H2,1H3,(H2,18,25)(H,20,21).

What are the key properties of 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 50960317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).