[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

C16H17IN4 — CID 105321049

IUPAC[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2ccccc2I)nc2ccccc21
InChIInChI=1S/C16H17IN4/c1-21-15-9-5-4-8-13(15)19-16(21)10-14(20-18)11-6-2-3-7-12(11)17/h2-9,14,20H,10,18H2,1H3
InChIKeyIAANAAHQHIOOJS-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.92
Rot. Bonds4

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

[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (PubChem CID 105321049) has the molecular formula C16H17IN4 and a molecular weight of 392.24 g/mol. Its IUPAC name is [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
PubChem CID105321049
Molecular FormulaC16H17IN4
Molecular Weight392.24 g/mol
Exact Mass392.05
IUPAC Name[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)c2ccccc2I)nc2ccccc21
InChIInChI=1S/C16H17IN4/c1-21-15-9-5-4-8-13(15)19-16(21)10-14(20-18)11-6-2-3-7-12(11)17/h2-9,14,20H,10,18H2,1H3
InChIKeyIAANAAHQHIOOJS-UHFFFAOYSA-N
XLogP2.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(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
[2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105321037
[1-(3-chloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 103445919
[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321032
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321073
[1-(2-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323366
[1-(4-methoxythiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321097
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105226520
[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (CID 105321049) is [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is Cn1c(CC(NN)c2ccccc2I)nc2ccccc21.
What is the InChIKey of [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The InChIKey is IAANAAHQHIOOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN4/c1-21-15-9-5-4-8-13(15)19-16(21)10-14(20-18)11-6-2-3-7-12(11)17/h2-9,14,20H,10,18H2,1H3.
What are the key properties of [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine has a molecular weight of 392.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105321049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).