2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide

C14H15N5O5 — CID 155884559

IUPAC2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C14H15N5O5/c1-9-15-7-13(19(22)23)18(9)8-12(20)16-17-14(21)10-5-3-4-6-11(10)24-2/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeySRPKYMVSLDGFII-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.57
Rot. Bonds5

About 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide

2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide (PubChem CID 155884559) has the molecular formula C14H15N5O5 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide
PubChem CID155884559
Molecular FormulaC14H15N5O5
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC Name2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C14H15N5O5/c1-9-15-7-13(19(22)23)18(9)8-12(20)16-17-14(21)10-5-3-4-6-11(10)24-2/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeySRPKYMVSLDGFII-UHFFFAOYSA-N
XLogP0.57
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 2966638
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 538001
2-(2-methyl-5-nitroimidazol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 753332
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 71658493
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
2-amino-N-[(E)-[1-(4-bromophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethylidene]amino]benzamide
CID 72546030
methyl 2-[2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propoxy]-6-methylbenzoate
CID 54755051
N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928367
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 94178882
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
N'-(3-ethoxypropanoyl)-2-methoxybenzohydrazide
CID 17357908
N-[(E)-(3-fluorophenyl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 51665564

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide (CID 155884559) is 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide is COc1ccccc1C(=O)NNC(=O)Cn1c([N+](=O)[O-])cnc1C.
What is the InChIKey of 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide?
The InChIKey is SRPKYMVSLDGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5/c1-9-15-7-13(19(22)23)18(9)8-12(20)16-17-14(21)10-5-3-4-6-11(10)24-2/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide?
2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide has a molecular weight of 333.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 155884559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).