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

C15H14N4O — CID 2849993

IUPAC(4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene
SMILESCOc1ccc(/N=N/c2nc3ccccc3n2C)cc1
InChIInChI=1S/C15H14N4O/c1-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b18-17+
InChIKeyVKAQTXHUKRTYFU-ISLYRVAYSA-N
MW266.30 g/mol
LogP4.00
Rot. Bonds3

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

(4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene (PubChem CID 2849993) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene
PubChem CID2849993
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene
SMILESCOc1ccc(/N=N/c2nc3ccccc3n2C)cc1
InChIInChI=1S/C15H14N4O/c1-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b18-17+
InChIKeyVKAQTXHUKRTYFU-ISLYRVAYSA-N
XLogP4.00
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.00
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 (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene?
The IUPAC name of (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene (CID 2849993) is (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene is COc1ccc(/N=N/c2nc3ccccc3n2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene?
The InChIKey is VKAQTXHUKRTYFU-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b18-17+.
What are the key properties of (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene?
(4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene has a molecular weight of 266.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene is sourced from PubChem (CID 2849993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).