N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide

C26H24N6O2 — CID 41184537

About N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide

N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide (PubChem CID 41184537) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide
• PubChem CID: 41184537
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide
• SMILES: CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cn1nnc2ccccc2c1=O
• InChI: InChI=1S/C26H24N6O2/c1-2-10-22(28-25(33)18-11-4-3-5-12-18)24-27-21-15-8-9-16-23(21)31(24)17-32-26(34)19-13-6-7-14-20(19)29-30-32/h3-9,11-16,22H,2,10,17H2,1H3,(H,28,33)/t22-/m1/s1
• InChIKey: GRCDERZLTOXLGN-JOCHJYFZSA-N
• XLogP: 3.92
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide?

The IUPAC name of N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide (CID 41184537) is N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide.

What is the SMILES notation for N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide?

The canonical SMILES for N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide is CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cn1nnc2ccccc2c1=O.

What is the InChIKey of N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide?

The InChIKey is GRCDERZLTOXLGN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-2-10-22(28-25(33)18-11-4-3-5-12-18)24-27-21-15-8-9-16-23(21)31(24)17-32-26(34)19-13-6-7-14-20(19)29-30-32/h3-9,11-16,22H,2,10,17H2,1H3,(H,28,33)/t22-/m1/s1.

What are the key properties of N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide?

N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzimidazol-2-yl]butyl]benzamide is sourced from PubChem (CID 41184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).