[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine

C16H26N4S — CID 105227069

IUPAC[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1nc2ccccc2n1CC)NN
InChIInChI=1S/C16H26N4S/c1-4-12(3)21-11-13(19-17)10-16-18-14-8-6-7-9-15(14)20(16)5-2/h6-9,12-13,19H,4-5,10-11,17H2,1-3H3
InChIKeyZTVHHCPEGWFBSM-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.96
Rot. Bonds8

About [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine

[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105227069) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105227069
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1nc2ccccc2n1CC)NN
InChIInChI=1S/C16H26N4S/c1-4-12(3)21-11-13(19-17)10-16-18-14-8-6-7-9-15(14)20(16)5-2/h6-9,12-13,19H,4-5,10-11,17H2,1-3H3
InChIKeyZTVHHCPEGWFBSM-UHFFFAOYSA-N
XLogP2.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.96
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-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79757017
[1-(1-ethylbenzimidazol-2-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105321101
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
[2-(1-ethylbenzimidazol-2-yl)-1-pyridazin-4-ylethyl]hydrazine
CID 105321121
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
[2-(1-ethylbenzimidazol-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193559
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine (CID 105227069) is [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine is CCC(C)SCC(Cc1nc2ccccc2n1CC)NN.
What is the InChIKey of [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is ZTVHHCPEGWFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-12(3)21-11-13(19-17)10-16-18-14-8-6-7-9-15(14)20(16)5-2/h6-9,12-13,19H,4-5,10-11,17H2,1-3H3.
What are the key properties of [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine?
[1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 306.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).