N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide

C14H11N5O3 — CID 66552728

IUPACN'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide
SMILESO=C(NNc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N5O3/c20-13(9-5-7-10(8-6-9)19(21)22)17-18-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H,17,20)(H2,15,16,18)
InChIKeyAOFMZARHPNGQPM-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.23
Rot. Bonds4

About N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide

N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide (PubChem CID 66552728) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide
PubChem CID66552728
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC NameN'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide
SMILESO=C(NNc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N5O3/c20-13(9-5-7-10(8-6-9)19(21)22)17-18-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H,17,20)(H2,15,16,18)
InChIKeyAOFMZARHPNGQPM-UHFFFAOYSA-N
XLogP2.23
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.23
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

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
2-(1H-benzimidazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 3749366
N-(1H-benzimidazol-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60698274
ethyl 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitrobenzoate
CID 27649380
1-(1H-benzimidazol-2-yl)ethyl 4-nitrobenzoate
CID 3612510
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
2-chloro-N'-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535685
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-5-nitro-2-phenylsulfanylbenzamide
CID 4554300
N'-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22535520

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide?
The IUPAC name of N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide (CID 66552728) is N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide is O=C(NNc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide?
The InChIKey is AOFMZARHPNGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-13(9-5-7-10(8-6-9)19(21)22)17-18-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H,17,20)(H2,15,16,18).
What are the key properties of N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide?
N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide has a molecular weight of 297.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide is sourced from PubChem (CID 66552728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).