5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium

C14H14N5O4Y- — CID 155694023

IUPAC5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium
SMILESCc1ccc([N+](=O)[O-])c([NH-])c1.O=c1[nH]c2ccc(NO)cc2[nH]1.[Y]
InChIInChI=1S/C7H7N3O2.C7H7N2O2.Y/c11-7-8-5-2-1-4(10-12)3-6(5)9-7;1-5-2-3-7(9(10)11)6(8)4-5;/h1-3,10,12H,(H2,8,9,11);2-4,8H,1H3;/q;-1;
InChIKeyXIRMJVNULWLBHQ-UHFFFAOYSA-N
MW405.20 g/mol
LogP3.24
Rot. Bonds2

About 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium

5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium (PubChem CID 155694023) has the molecular formula C14H14N5O4Y- and a molecular weight of 405.20 g/mol. Its IUPAC name is 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium.

Molecular Properties

Compound Name5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium
PubChem CID155694023
Molecular FormulaC14H14N5O4Y-
Molecular Weight405.20 g/mol
Exact Mass405.01
IUPAC Name5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium
SMILESCc1ccc([N+](=O)[O-])c([NH-])c1.O=c1[nH]c2ccc(NO)cc2[nH]1.[Y]
InChIInChI=1S/C7H7N3O2.C7H7N2O2.Y/c11-7-8-5-2-1-4(10-12)3-6(5)9-7;1-5-2-3-7(9(10)11)6(8)4-5;/h1-3,10,12H,(H2,8,9,11);2-4,8H,1H3;/q;-1;
InChIKeyXIRMJVNULWLBHQ-UHFFFAOYSA-N
XLogP3.24
TPSA147.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 158575172
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
5-[(2-chloro-5-nitropyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 142478716
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 936375
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549941
(2R)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 76962189
5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 4643764
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium?
The IUPAC name of 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium (CID 155694023) is 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium.
What is the SMILES notation for 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium?
The canonical SMILES for 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium is Cc1ccc([N+](=O)[O-])c([NH-])c1.O=c1[nH]c2ccc(NO)cc2[nH]1.[Y].
What is the InChIKey of 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium?
The InChIKey is XIRMJVNULWLBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2.C7H7N2O2.Y/c11-7-8-5-2-1-4(10-12)3-6(5)9-7;1-5-2-3-7(9(10)11)6(8)4-5;/h1-3,10,12H,(H2,8,9,11);2-4,8H,1H3;/q;-1;.
What are the key properties of 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium?
5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium has a molecular weight of 405.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-1,3-dihydrobenzimidazol-2-one;(5-methyl-2-nitrophenyl)azanide;yttrium is sourced from PubChem (CID 155694023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).