[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

C13H17ClN4 — CID 105308375

IUPAC[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-3-18-5-4-16-13(18)12(17-15)10-6-9(2)7-11(14)8-10/h4-8,12,17H,3,15H2,1-2H3
InChIKeyOJYOLRXTSCGAPZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.42
Rot. Bonds4

About [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (PubChem CID 105308375) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
PubChem CID105308375
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-3-18-5-4-16-13(18)12(17-15)10-6-9(2)7-11(14)8-10/h4-8,12,17H,3,15H2,1-2H3
InChIKeyOJYOLRXTSCGAPZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
[(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105266290
N-[(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945889
[(1-ethylimidazol-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196054
[(2,5-dimethylfuran-3-yl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308447
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308409
[(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105308467
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (CID 105308375) is [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is CCn1ccnc1C(NN)c1cc(C)cc(Cl)c1.
What is the InChIKey of [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The InChIKey is OJYOLRXTSCGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-18-5-4-16-13(18)12(17-15)10-6-9(2)7-11(14)8-10/h4-8,12,17H,3,15H2,1-2H3.
What are the key properties of [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine has a molecular weight of 264.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105308375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).