[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

C15H17BrN4S — CID 105321073

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2nc3ccccc3n2C)NN)sc1Br
InChIInChI=1S/C15H17BrN4S/c1-9-7-13(21-15(9)16)11(19-17)8-14-18-10-5-3-4-6-12(10)20(14)2/h3-7,11,19H,8,17H2,1-2H3
InChIKeyDNXPKRKWACLXOJ-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.45
Rot. Bonds4

About [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (PubChem CID 105321073) has the molecular formula C15H17BrN4S and a molecular weight of 365.30 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
PubChem CID105321073
Molecular FormulaC15H17BrN4S
Molecular Weight365.30 g/mol
Exact Mass364.04
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2nc3ccccc3n2C)NN)sc1Br
InChIInChI=1S/C15H17BrN4S/c1-9-7-13(21-15(9)16)11(19-17)8-14-18-10-5-3-4-6-12(10)20(14)2/h3-7,11,19H,8,17H2,1-2H3
InChIKeyDNXPKRKWACLXOJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.45
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-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 107970439
[1-(4-methoxythiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321097
[2-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200785
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
[1-(5-chlorofuran-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 106694568
[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321049
[2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105321037
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 102829570
[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321032
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (CID 105321073) is [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is Cc1cc(C(Cc2nc3ccccc3n2C)NN)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The InChIKey is DNXPKRKWACLXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4S/c1-9-7-13(21-15(9)16)11(19-17)8-14-18-10-5-3-4-6-12(10)20(14)2/h3-7,11,19H,8,17H2,1-2H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine has a molecular weight of 365.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105321073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).