N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

C15H10N6O3 — CID 75392689

IUPACN-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10N6O3/c22-15(8-1-3-12-13(5-8)17-7-16-12)18-14-10-6-9(21(23)24)2-4-11(10)19-20-14/h1-7H,(H,16,17)(H2,18,19,20,22)
InChIKeyRAMPKUCBUWTFHR-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.60
Rot. Bonds3

About N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 75392689) has the molecular formula C15H10N6O3 and a molecular weight of 322.28 g/mol. Its IUPAC name is N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID75392689
Molecular FormulaC15H10N6O3
Molecular Weight322.28 g/mol
Exact Mass322.08
IUPAC NameN-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10N6O3/c22-15(8-1-3-12-13(5-8)17-7-16-12)18-14-10-6-9(21(23)24)2-4-11(10)19-20-14/h1-7H,(H,16,17)(H2,18,19,20,22)
InChIKeyRAMPKUCBUWTFHR-UHFFFAOYSA-N
XLogP2.60
TPSA129.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.60
H-Bond Donors ≤ 53
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'}

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Related Compounds

4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 71907763
3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
CID 3937825
3-[[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]amino]-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 99792834
3-[(3-nitrobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584500
silver 6-nitro-1H-benzimidazole
CID 19981768
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
potassium;6-nitro-1H-benzimidazole;bromide
CID 159548284
6-nitro-1H-benzimidazole;sulfuric acid
CID 44725885
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(2,4-dimethyl-6-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 18847586
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 75392689) is N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is RAMPKUCBUWTFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O3/c22-15(8-1-3-12-13(5-8)17-7-16-12)18-14-10-6-9(21(23)24)2-4-11(10)19-20-14/h1-7H,(H,16,17)(H2,18,19,20,22).
What are the key properties of N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 322.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 75392689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).