[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine

C15H24N4S — CID 105226520

IUPAC[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCn1c(CC(CSC(C)(C)C)NN)nc2ccccc21
InChIInChI=1S/C15H24N4S/c1-15(2,3)20-10-11(18-16)9-14-17-12-7-5-6-8-13(12)19(14)4/h5-8,11,18H,9-10,16H2,1-4H3
InChIKeyVSUCRRJMGUMRTQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.48
Rot. Bonds5

About [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine

[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105226520) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105226520
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCn1c(CC(CSC(C)(C)C)NN)nc2ccccc21
InChIInChI=1S/C15H24N4S/c1-15(2,3)20-10-11(18-16)9-14-17-12-7-5-6-8-13(12)19(14)4/h5-8,11,18H,9-10,16H2,1-4H3
InChIKeyVSUCRRJMGUMRTQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.48
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

[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321049
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505

Frequently Asked Questions

What is the IUPAC name of [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine (CID 105226520) is [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine is Cn1c(CC(CSC(C)(C)C)NN)nc2ccccc21.
What is the InChIKey of [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is VSUCRRJMGUMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-15(2,3)20-10-11(18-16)9-14-17-12-7-5-6-8-13(12)19(14)4/h5-8,11,18H,9-10,16H2,1-4H3.
What are the key properties of [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine?
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 292.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).