2-cyclohexa-2,4-dien-1-yl-4H-imidazole

C9H10N2 — CID 144560923

IUPAC2-cyclohexa-2,4-dien-1-yl-4H-imidazole
SMILESC1=CCC(C2=NCC=N2)C=C1
InChIInChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6,8H,5,7H2
InChIKeyRVHNJHPVKGLLHK-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.60
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-4H-imidazole

2-cyclohexa-2,4-dien-1-yl-4H-imidazole (PubChem CID 144560923) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4H-imidazole.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4H-imidazole
PubChem CID144560923
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4H-imidazole
SMILESC1=CCC(C2=NCC=N2)C=C1
InChIInChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6,8H,5,7H2
InChIKeyRVHNJHPVKGLLHK-UHFFFAOYSA-N
XLogP1.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
CID 89198240
2-Methyl-1,3-diazaspiro[4.5]deca-1,3,6,8-tetraene
CID 89263865
3a,7a-dihydro-1H-isoindole
CID 118369128
N-methylidenecyclohexa-2,4-diene-1-carboximidamide
CID 134198615
3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
CID 142387758
5-Cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine
CID 155155727
N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide
CID 176522660
7-[(1R)-cyclohexa-2,4-dien-1-yl]-5H-1,3-diazepine
CID 163257036
3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
CID 178185805

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4H-imidazole?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4H-imidazole (CID 144560923) is 2-cyclohexa-2,4-dien-1-yl-4H-imidazole.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4H-imidazole?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4H-imidazole is C1=CCC(C2=NCC=N2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4H-imidazole?
The InChIKey is RVHNJHPVKGLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6,8H,5,7H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4H-imidazole?
2-cyclohexa-2,4-dien-1-yl-4H-imidazole has a molecular weight of 146.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4H-imidazole is sourced from PubChem (CID 144560923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).