2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid

C20H16N4O5 — CID 54738396

IUPAC2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2nc3ccccc3n2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H16N4O5/c25-15(26)10-21-19(28)16-17(27)18-22-13-8-4-5-9-14(13)24(18)23(20(16)29)11-12-6-2-1-3-7-12/h1-9,27H,10-11H2,(H,21,28)(H,25,26)
InChIKeyGMJJXWONLOECAY-UHFFFAOYSA-N
MW392.37 g/mol
LogP1.22
Rot. Bonds5

About 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid

2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid (PubChem CID 54738396) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
PubChem CID54738396
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2nc3ccccc3n2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H16N4O5/c25-15(26)10-21-19(28)16-17(27)18-22-13-8-4-5-9-14(13)24(18)23(20(16)29)11-12-6-2-1-3-7-12/h1-9,27H,10-11H2,(H,21,28)(H,25,26)
InChIKeyGMJJXWONLOECAY-UHFFFAOYSA-N
XLogP1.22
TPSA125.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[[1-(cyclopropylmethyl)-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl]amino]acetic acid
CID 54738404
2-[(13-benzyl-10-hydroxy-12-oxo-1,6,8,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
CID 87262978
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751146
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 135929042
2-[(7-chloro-4-hydroxy-8-methyl-2-oxo-1-propan-2-ylpyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 123413470
2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238083
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid (CID 54738396) is 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2nc3ccccc3n2n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid?
The InChIKey is GMJJXWONLOECAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c25-15(26)10-21-19(28)16-17(27)18-22-13-8-4-5-9-14(13)24(18)23(20(16)29)11-12-6-2-1-3-7-12/h1-9,27H,10-11H2,(H,21,28)(H,25,26).
What are the key properties of 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid?
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid has a molecular weight of 392.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54738396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).