N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C18H22FN9O — CID 120871463

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120871463) has the molecular formula C18H22FN9O and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
• PubChem CID: 120871463
• Molecular Formula: C18H22FN9O
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.19
• IUPAC Name: N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
• SMILES: Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCNCC2c2nccn2C)c1
• InChI: InChI=1S/C18H22FN9O/c1-12-23-24-25-28(12)13-3-4-14(19)15(9-13)22-17(29)11-27-8-5-20-10-16(27)18-21-6-7-26(18)2/h3-4,6-7,9,16,20H,5,8,10-11H2,1-2H3,(H,22,29)
• InChIKey: YMWMNUAYLLSOOD-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 105.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?

The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120871463) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCNCC2c2nccn2C)c1.

What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?

The InChIKey is YMWMNUAYLLSOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN9O/c1-12-23-24-25-28(12)13-3-4-14(19)15(9-13)22-17(29)11-27-8-5-20-10-16(27)18-21-6-7-26(18)2/h3-4,6-7,9,16,20H,5,8,10-11H2,1-2H3,(H,22,29).

What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120871463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).