(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene

C16H13ClN4 — CID 100940168

IUPAC(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene
SMILESClc1ccccc1/N=N/c1nccn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4/c17-14-8-4-5-9-15(14)19-20-16-18-10-11-21(16)12-13-6-2-1-3-7-13/h1-11H,12H2/b20-19+
InChIKeyOMDHDTUGEMHWDU-FMQUCBEESA-N
MW296.76 g/mol
LogP5.00
Rot. Bonds4

About (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene

(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene (PubChem CID 100940168) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene
PubChem CID100940168
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene
SMILESClc1ccccc1/N=N/c1nccn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4/c17-14-8-4-5-9-15(14)19-20-16-18-10-11-21(16)12-13-6-2-1-3-7-13/h1-11H,12H2/b20-19+
InChIKeyOMDHDTUGEMHWDU-FMQUCBEESA-N
XLogP5.00
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.76
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene?
The IUPAC name of (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene (CID 100940168) is (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene.
What is the SMILES notation for (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene?
The canonical SMILES for (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene is Clc1ccccc1/N=N/c1nccn1Cc1ccccc1.
What is the InChIKey of (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene?
The InChIKey is OMDHDTUGEMHWDU-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13ClN4/c17-14-8-4-5-9-15(14)19-20-16-18-10-11-21(16)12-13-6-2-1-3-7-13/h1-11H,12H2/b20-19+.
What are the key properties of (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene?
(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene has a molecular weight of 296.76 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene is sourced from PubChem (CID 100940168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).