[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine

C14H20N4S — CID 105228177

IUPAC[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
SMILESCn1ccnc1CCC(CSc1ccccc1)NN
InChIInChI=1S/C14H20N4S/c1-18-10-9-16-14(18)8-7-12(17-15)11-19-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11,15H2,1H3
InChIKeyPBFGTWIVEHCQML-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.98
Rot. Bonds7

About [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine

[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine (PubChem CID 105228177) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
PubChem CID105228177
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
SMILESCn1ccnc1CCC(CSc1ccccc1)NN
InChIInChI=1S/C14H20N4S/c1-18-10-9-16-14(18)8-7-12(17-15)11-19-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11,15H2,1H3
InChIKeyPBFGTWIVEHCQML-UHFFFAOYSA-N
XLogP1.98
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105237457
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
[4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-yl]hydrazine
CID 105340257
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
[4-(1-methylimidazol-2-yl)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydrazine
CID 105340446
[5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-yl]hydrazine
CID 105340442

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine (CID 105228177) is [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine is Cn1ccnc1CCC(CSc1ccccc1)NN.
What is the InChIKey of [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine?
The InChIKey is PBFGTWIVEHCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18-10-9-16-14(18)8-7-12(17-15)11-19-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11,15H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine?
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine has a molecular weight of 276.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).