2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole

C11H12N2 — CID 157163161

IUPAC2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESC=CC1(c2ncc[nH]2)C=CC=CC1
InChIInChI=1S/C11H12N2/c1-2-11(6-4-3-5-7-11)10-12-8-9-13-10/h2-6,8-9H,1,7H2,(H,12,13)
InChIKeyAMPIRCWAEJUQMJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.35
Rot. Bonds2

About 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole

2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole (PubChem CID 157163161) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole
PubChem CID157163161
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESC=CC1(c2ncc[nH]2)C=CC=CC1
InChIInChI=1S/C11H12N2/c1-2-11(6-4-3-5-7-11)10-12-8-9-13-10/h2-6,8-9H,1,7H2,(H,12,13)
InChIKeyAMPIRCWAEJUQMJ-UHFFFAOYSA-N
XLogP2.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The IUPAC name of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole (CID 157163161) is 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The canonical SMILES for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole is C=CC1(c2ncc[nH]2)C=CC=CC1.
What is the InChIKey of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The InChIKey is AMPIRCWAEJUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-11(6-4-3-5-7-11)10-12-8-9-13-10/h2-6,8-9H,1,7H2,(H,12,13).
What are the key properties of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole has a molecular weight of 172.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1H-imidazole is sourced from PubChem (CID 157163161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).