2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C17H16N6O3 — CID 147667373

IUPAC2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(=O)C(/N=N/c1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16N6O3/c1-9(24)15(23-22-11-4-2-10(18)3-5-11)16(25)19-12-6-7-13-14(8-12)21-17(26)20-13/h2-8,15H,18H2,1H3,(H,19,25)(H2,20,21,26)/b23-22+
InChIKeyGMOKVYLVGYOYBB-GHVJWSGMSA-N
MW352.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 147667373) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID147667373
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(=O)C(/N=N/c1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16N6O3/c1-9(24)15(23-22-11-4-2-10(18)3-5-11)16(25)19-12-6-7-13-14(8-12)21-17(26)20-13/h2-8,15H,18H2,1H3,(H,19,25)(H2,20,21,26)/b23-22+
InChIKeyGMOKVYLVGYOYBB-GHVJWSGMSA-N
XLogP2.12
TPSA145.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-[2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]phenoxy]ethoxy]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;ethane
CID 158207073
(2R)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 76962189
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
4-[[2-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]anilino]-6-oxo-1H-1,3,5-triazin-4-yl]amino]-N-[3-(dipentylamino)propyl]benzamide
CID 135982213
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 43620690
8-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid
CID 88910027
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide
CID 162078835
4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 144902316

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 147667373) is 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is CC(=O)C(/N=N/c1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is GMOKVYLVGYOYBB-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-9(24)15(23-22-11-4-2-10(18)3-5-11)16(25)19-12-6-7-13-14(8-12)21-17(26)20-13/h2-8,15H,18H2,1H3,(H,19,25)(H2,20,21,26)/b23-22+.
What are the key properties of 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 352.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 147667373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).