(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene

C15H13BrN4O — CID 3123554

IUPAC(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2nc3ccc(Br)cc3n2C)cc1
InChIInChI=1S/C15H13BrN4O/c1-20-14-9-10(16)3-8-13(14)17-15(20)19-18-11-4-6-12(21-2)7-5-11/h3-9H,1-2H3/b19-18+
InChIKeyFZNBIBWHUXFOMF-VHEBQXMUSA-N
MW345.20 g/mol
LogP4.76
Rot. Bonds3

About (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene

(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene (PubChem CID 3123554) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene
PubChem CID3123554
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2nc3ccc(Br)cc3n2C)cc1
InChIInChI=1S/C15H13BrN4O/c1-20-14-9-10(16)3-8-13(14)17-15(20)19-18-11-4-6-12(21-2)7-5-11/h3-9H,1-2H3/b19-18+
InChIKeyFZNBIBWHUXFOMF-VHEBQXMUSA-N
XLogP4.76
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene?
The IUPAC name of (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene (CID 3123554) is (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2nc3ccc(Br)cc3n2C)cc1.
What is the InChIKey of (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene?
The InChIKey is FZNBIBWHUXFOMF-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-20-14-9-10(16)3-8-13(14)17-15(20)19-18-11-4-6-12(21-2)7-5-11/h3-9H,1-2H3/b19-18+.
What are the key properties of (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene?
(6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene has a molecular weight of 345.20 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 3123554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).