(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene

C18H20N4 — CID 2850397

IUPAC(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene
SMILESCc1cc(C)c(C)c(/N=N/c2nc3ccccc3n2C)c1C
InChIInChI=1S/C18H20N4/c1-11-10-12(2)14(4)17(13(11)3)20-21-18-19-15-8-6-7-9-16(15)22(18)5/h6-10H,1-5H3/b21-20+
InChIKeyIIHHVYXVCPEGMQ-QZQOTICOSA-N
MW292.39 g/mol
LogP5.22
Rot. Bonds2

About (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene

(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene (PubChem CID 2850397) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene
PubChem CID2850397
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene
SMILESCc1cc(C)c(C)c(/N=N/c2nc3ccccc3n2C)c1C
InChIInChI=1S/C18H20N4/c1-11-10-12(2)14(4)17(13(11)3)20-21-18-19-15-8-6-7-9-16(15)22(18)5/h6-10H,1-5H3/b21-20+
InChIKeyIIHHVYXVCPEGMQ-QZQOTICOSA-N
XLogP5.22
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.39
LogP ≤ 55.22
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-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene?
The IUPAC name of (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene (CID 2850397) is (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene is Cc1cc(C)c(C)c(/N=N/c2nc3ccccc3n2C)c1C.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene?
The InChIKey is IIHHVYXVCPEGMQ-QZQOTICOSA-N. The full InChI is InChI=1S/C18H20N4/c1-11-10-12(2)14(4)17(13(11)3)20-21-18-19-15-8-6-7-9-16(15)22(18)5/h6-10H,1-5H3/b21-20+.
What are the key properties of (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene?
(1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene has a molecular weight of 292.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-(2,3,5,6-tetramethylphenyl)diazene is sourced from PubChem (CID 2850397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).