3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride

C12H16Cl2N4O2 — CID 66607849

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
SMILESCOc1cc(C(=O)NN)ccc1-n1cnc(C)c1.Cl.Cl
InChIInChI=1S/C12H14N4O2.2ClH/c1-8-6-16(7-14-8)10-4-3-9(12(17)15-13)5-11(10)18-2;;/h3-7H,13H2,1-2H3,(H,15,17);2*1H
InChIKeyYHOSXIFNTXSAAZ-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.64
Rot. Bonds3

About 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride

3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride (PubChem CID 66607849) has the molecular formula C12H16Cl2N4O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
PubChem CID66607849
Molecular FormulaC12H16Cl2N4O2
Molecular Weight319.19 g/mol
Exact Mass318.07
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
SMILESCOc1cc(C(=O)NN)ccc1-n1cnc(C)c1.Cl.Cl
InChIInChI=1S/C12H14N4O2.2ClH/c1-8-6-16(7-14-8)10-4-3-9(12(17)15-13)5-11(10)18-2;;/h3-7H,13H2,1-2H3,(H,15,17);2*1H
InChIKeyYHOSXIFNTXSAAZ-UHFFFAOYSA-N
XLogP1.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
tert-butyl N-[[2-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]acetyl]amino]carbamate
CID 66790958
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66790975
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride (CID 66607849) is 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride is COc1cc(C(=O)NN)ccc1-n1cnc(C)c1.Cl.Cl.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride?
The InChIKey is YHOSXIFNTXSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.2ClH/c1-8-6-16(7-14-8)10-4-3-9(12(17)15-13)5-11(10)18-2;;/h3-7H,13H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride?
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride has a molecular weight of 319.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride is sourced from PubChem (CID 66607849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).