[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

C14H14Br2N4S — CID 107970439

IUPAC[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2cc(Br)sc2Br)nc2ccccc21
InChIInChI=1S/C14H14Br2N4S/c1-20-11-5-3-2-4-9(11)18-13(20)7-10(19-17)8-6-12(15)21-14(8)16/h2-6,10,19H,7,17H2,1H3
InChIKeyGTQXAKIEHPPIAV-UHFFFAOYSA-N
MW430.17 g/mol
LogP3.91
Rot. Bonds4

About [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (PubChem CID 107970439) has the molecular formula C14H14Br2N4S and a molecular weight of 430.17 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
PubChem CID107970439
Molecular FormulaC14H14Br2N4S
Molecular Weight430.17 g/mol
Exact Mass427.93
IUPAC Name[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2cc(Br)sc2Br)nc2ccccc21
InChIInChI=1S/C14H14Br2N4S/c1-20-11-5-3-2-4-9(11)18-13(20)7-10(19-17)8-6-12(15)21-14(8)16/h2-6,10,19H,7,17H2,1H3
InChIKeyGTQXAKIEHPPIAV-UHFFFAOYSA-N
XLogP3.91
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.17
LogP ≤ 53.91
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-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321073
[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-(5-chlorofuran-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 106694568
[2-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200785
[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321032
[1-(4-methoxythiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321097
[1-(3-chloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 103445919
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 107970529
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 107970127

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (CID 107970439) is [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is Cn1c(CC(NN)c2cc(Br)sc2Br)nc2ccccc21.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The InChIKey is GTQXAKIEHPPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N4S/c1-20-11-5-3-2-4-9(11)18-13(20)7-10(19-17)8-6-12(15)21-14(8)16/h2-6,10,19H,7,17H2,1H3.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine has a molecular weight of 430.17 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107970439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).