2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol

C25H33N5O — CID 172959597

IUPAC2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol
SMILESCCCCn1ccn(-c2c(C)cc(C)cc2C)/c1=N\N=N/c1ccccc1C(C)(C)O
InChIInChI=1S/C25H33N5O/c1-7-8-13-29-14-15-30(23-19(3)16-18(2)17-20(23)4)24(29)27-28-26-22-12-10-9-11-21(22)25(5,6)31/h9-12,14-17,31H,7-8,13H2,1-6H3/b27-24-,28-26-
InChIKeyODRUKNYCFYDLJQ-OTYDTDFCSA-N
MW419.57 g/mol
LogP5.83
Rot. Bonds7

About 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol

2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol (PubChem CID 172959597) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol
PubChem CID172959597
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol
SMILESCCCCn1ccn(-c2c(C)cc(C)cc2C)/c1=N\N=N/c1ccccc1C(C)(C)O
InChIInChI=1S/C25H33N5O/c1-7-8-13-29-14-15-30(23-19(3)16-18(2)17-20(23)4)24(29)27-28-26-22-12-10-9-11-21(22)25(5,6)31/h9-12,14-17,31H,7-8,13H2,1-6H3/b27-24-,28-26-
InChIKeyODRUKNYCFYDLJQ-OTYDTDFCSA-N
XLogP5.83
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol (CID 172959597) is 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol is CCCCn1ccn(-c2c(C)cc(C)cc2C)/c1=N\N=N/c1ccccc1C(C)(C)O.
What is the InChIKey of 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol?
The InChIKey is ODRUKNYCFYDLJQ-OTYDTDFCSA-N. The full InChI is InChI=1S/C25H33N5O/c1-7-8-13-29-14-15-30(23-19(3)16-18(2)17-20(23)4)24(29)27-28-26-22-12-10-9-11-21(22)25(5,6)31/h9-12,14-17,31H,7-8,13H2,1-6H3/b27-24-,28-26-.
What are the key properties of 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol?
2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol has a molecular weight of 419.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(Z)-[1-butyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]phenyl]propan-2-ol is sourced from PubChem (CID 172959597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).