[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine

C13H16ClFN4 — CID 105307653

IUPAC[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
SMILESCCCn1ccnc1C(NN)c1cccc(F)c1Cl
InChIInChI=1S/C13H16ClFN4/c1-2-7-19-8-6-17-13(19)12(18-16)9-4-3-5-10(15)11(9)14/h3-6,8,12,18H,2,7,16H2,1H3
InChIKeyFYMOKSNNWSJKQW-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.64
Rot. Bonds5

About [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine

[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine (PubChem CID 105307653) has the molecular formula C13H16ClFN4 and a molecular weight of 282.75 g/mol. Its IUPAC name is [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
PubChem CID105307653
Molecular FormulaC13H16ClFN4
Molecular Weight282.75 g/mol
Exact Mass282.10
IUPAC Name[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
SMILESCCCn1ccnc1C(NN)c1cccc(F)c1Cl
InChIInChI=1S/C13H16ClFN4/c1-2-7-19-8-6-17-13(19)12(18-16)9-4-3-5-10(15)11(9)14/h3-6,8,12,18H,2,7,16H2,1H3
InChIKeyFYMOKSNNWSJKQW-UHFFFAOYSA-N
XLogP2.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.64
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

[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
[(3-fluoro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105257823
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
[2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105264382
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
[(2-methylpyrazol-3-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307580
[(1-propylimidazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105307552

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine (CID 105307653) is [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine is CCCn1ccnc1C(NN)c1cccc(F)c1Cl.
What is the InChIKey of [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The InChIKey is FYMOKSNNWSJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4/c1-2-7-19-8-6-17-13(19)12(18-16)9-4-3-5-10(15)11(9)14/h3-6,8,12,18H,2,7,16H2,1H3.
What are the key properties of [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine has a molecular weight of 282.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105307653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).