N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C20H23N5O2 — CID 75465953

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75465953) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
• PubChem CID: 75465953
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
• SMILES: Cn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21
• InChI: InChI=1S/C20H23N5O2/c1-24-17-10-6-5-9-16(17)22-18(24)12-21-19(26)13-25-20(27)11-14-7-3-2-4-8-15(14)23-25/h5-6,9-11H,2-4,7-8,12-13H2,1H3,(H,21,26)
• InChIKey: NBSDBHITQLRGPM-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75465953) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is Cn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21.

What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The InChIKey is NBSDBHITQLRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-17-10-6-5-9-16(17)22-18(24)12-21-19(26)13-25-20(27)11-14-7-3-2-4-8-15(14)23-25/h5-6,9-11H,2-4,7-8,12-13H2,1H3,(H,21,26).

What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75465953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).