[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine

C17H20N4 — CID 105284192

IUPAC[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(Cn2cnc3ccccc32)NN)cc1
InChIInChI=1S/C17H20N4/c1-13-6-8-14(9-7-13)10-15(20-18)11-21-12-19-16-4-2-3-5-17(16)21/h2-9,12,15,20H,10-11,18H2,1H3
InChIKeyQACSHBAJMMUYKC-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.42
Rot. Bonds5

About [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine

[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105284192) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
PubChem CID105284192
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(Cn2cnc3ccccc32)NN)cc1
InChIInChI=1S/C17H20N4/c1-13-6-8-14(9-7-13)10-15(20-18)11-21-12-19-16-4-2-3-5-17(16)21/h2-9,12,15,20H,10-11,18H2,1H3
InChIKeyQACSHBAJMMUYKC-UHFFFAOYSA-N
XLogP2.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine (CID 105284192) is [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine is Cc1ccc(CC(Cn2cnc3ccccc32)NN)cc1.
What is the InChIKey of [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is QACSHBAJMMUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-6-8-14(9-7-13)10-15(20-18)11-21-12-19-16-4-2-3-5-17(16)21/h2-9,12,15,20H,10-11,18H2,1H3.
What are the key properties of [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 280.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105284192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).