[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone

C26H22N4O2 — CID 11796495

IUPAC[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)C1CC=CCC1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(19-5-9-21(10-6-19)29-15-13-27-17-29)23-3-1-2-4-24(23)26(32)20-7-11-22(12-8-20)30-16-14-28-18-30/h1-2,5-18,23-24H,3-4H2
InChIKeyHWZQTTOGLOVBFO-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.71
Rot. Bonds6

About [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone

[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 11796495) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID11796495
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)C1CC=CCC1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(19-5-9-21(10-6-19)29-15-13-27-17-29)23-3-1-2-4-24(23)26(32)20-7-11-22(12-8-20)30-16-14-28-18-30/h1-2,5-18,23-24H,3-4H2
InChIKeyHWZQTTOGLOVBFO-UHFFFAOYSA-N
XLogP4.71
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
(E)-1-(4-fluorophenyl)-4-(4-imidazol-1-ylphenyl)but-2-ene-1,4-dione
CID 125485189
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(2-cyclopentylpyrazol-3-yl)-4-imidazol-1-ylbenzamide
CID 134707115
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890

Frequently Asked Questions

What is the IUPAC name of [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone (CID 11796495) is [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone is O=C(c1ccc(-n2ccnc2)cc1)C1CC=CCC1C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is HWZQTTOGLOVBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(19-5-9-21(10-6-19)29-15-13-27-17-29)23-3-1-2-4-24(23)26(32)20-7-11-22(12-8-20)30-16-14-28-18-30/h1-2,5-18,23-24H,3-4H2.
What are the key properties of [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone?
[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 422.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 11796495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).