3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C14H10N4O4 — CID 3863053

IUPAC3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O4/c19-13(8-2-1-3-10(6-8)18(21)22)15-9-4-5-11-12(7-9)17-14(20)16-11/h1-7H,(H,15,19)(H2,16,17,20)
InChIKeyBMOSXQQEXQAGRU-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.02
Rot. Bonds3

About 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 3863053) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID3863053
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O4/c19-13(8-2-1-3-10(6-8)18(21)22)15-9-4-5-11-12(7-9)17-14(20)16-11/h1-7H,(H,15,19)(H2,16,17,20)
InChIKeyBMOSXQQEXQAGRU-UHFFFAOYSA-N
XLogP2.02
TPSA120.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3-nitrobenzamide
CID 2148521
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
5-methyl-1-(3-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)triazole-4-carboxamide
CID 137278277
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 40805087
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 3863053) is 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is BMOSXQQEXQAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c19-13(8-2-1-3-10(6-8)18(21)22)15-9-4-5-11-12(7-9)17-14(20)16-11/h1-7H,(H,15,19)(H2,16,17,20).
What are the key properties of 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 298.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 3863053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).