[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

C14H15ClN4S — CID 105321032

IUPAC[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2sccc2Cl)nc2ccccc21
InChIInChI=1S/C14H15ClN4S/c1-19-12-5-3-2-4-10(12)17-13(19)8-11(18-16)14-9(15)6-7-20-14/h2-7,11,18H,8,16H2,1H3
InChIKeyHCESUZHFJQNZBG-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.04
Rot. Bonds4

About [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (PubChem CID 105321032) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
PubChem CID105321032
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2sccc2Cl)nc2ccccc21
InChIInChI=1S/C14H15ClN4S/c1-19-12-5-3-2-4-10(12)17-13(19)8-11(18-16)14-9(15)6-7-20-14/h2-7,11,18H,8,16H2,1H3
InChIKeyHCESUZHFJQNZBG-UHFFFAOYSA-N
XLogP3.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (CID 105321032) is [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is Cn1c(CC(NN)c2sccc2Cl)nc2ccccc21.
What is the InChIKey of [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The InChIKey is HCESUZHFJQNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-19-12-5-3-2-4-10(12)17-13(19)8-11(18-16)14-9(15)6-7-20-14/h2-7,11,18H,8,16H2,1H3.
What are the key properties of [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine has a molecular weight of 306.82 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105321032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).