4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide

C11H11N5O3 — CID 63578461

IUPAC4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C11H11N5O3/c12-14-11(17)9-3-1-8(2-4-9)5-15-6-10(13-7-15)16(18)19/h1-4,6-7H,5,12H2,(H,14,17)
InChIKeyVFFZDGJORYBJDU-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.44
Rot. Bonds4

About 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide

4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide (PubChem CID 63578461) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide
PubChem CID63578461
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C11H11N5O3/c12-14-11(17)9-3-1-8(2-4-9)5-15-6-10(13-7-15)16(18)19/h1-4,6-7H,5,12H2,(H,14,17)
InChIKeyVFFZDGJORYBJDU-UHFFFAOYSA-N
XLogP0.44
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(4-nitroimidazol-1-yl)methyl]benzamide
CID 56784450
4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 843247
[5-[(4-nitroimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62246722
2-chloro-5-[(4-nitroimidazol-1-yl)methyl]pyridine
CID 24696081
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
4-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 59103037
methyl 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoate
CID 45110275
2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63578825
4-[(4-nitroimidazol-1-yl)methyl]pyridin-2-amine
CID 62464555
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63578818
3-bromo-4-[(4-nitroimidazol-1-yl)methyl]benzoic acid
CID 102766087
[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259377

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide (CID 63578461) is 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide?
The InChIKey is VFFZDGJORYBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-14-11(17)9-3-1-8(2-4-9)5-15-6-10(13-7-15)16(18)19/h1-4,6-7H,5,12H2,(H,14,17).
What are the key properties of 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide?
4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide has a molecular weight of 261.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63578461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).