(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine

C9H11BrN4 — CID 84635550

IUPAC(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine
SMILESCc1cc(Br)cc2nc(NN)n(C)c12
InChIInChI=1S/C9H11BrN4/c1-5-3-6(10)4-7-8(5)14(2)9(12-7)13-11/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyWIUWTLRHUSBRCV-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.93
Rot. Bonds1

About (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine

(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine (PubChem CID 84635550) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine
PubChem CID84635550
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine
SMILESCc1cc(Br)cc2nc(NN)n(C)c12
InChIInChI=1S/C9H11BrN4/c1-5-3-6(10)4-7-8(5)14(2)9(12-7)13-11/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyWIUWTLRHUSBRCV-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.93
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 (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine?
The IUPAC name of (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine (CID 84635550) is (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine.
What is the SMILES notation for (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine?
The canonical SMILES for (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine is Cc1cc(Br)cc2nc(NN)n(C)c12.
What is the InChIKey of (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine?
The InChIKey is WIUWTLRHUSBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-5-3-6(10)4-7-8(5)14(2)9(12-7)13-11/h3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine?
(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine has a molecular weight of 255.12 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine is sourced from PubChem (CID 84635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).