2-cyclohexa-2,4-dien-1-ylideneimidazole

C9H8N2 — CID 70629609

IUPAC2-cyclohexa-2,4-dien-1-ylideneimidazole
SMILESC1=CCC(=C2N=CC=N2)C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6-7H,5H2
InChIKeyRXXKBXHXAIOVJG-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.87
Rot. Bonds

About 2-cyclohexa-2,4-dien-1-ylideneimidazole

2-cyclohexa-2,4-dien-1-ylideneimidazole (PubChem CID 70629609) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylideneimidazole.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylideneimidazole
PubChem CID70629609
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-cyclohexa-2,4-dien-1-ylideneimidazole
SMILESC1=CCC(=C2N=CC=N2)C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6-7H,5H2
InChIKeyRXXKBXHXAIOVJG-UHFFFAOYSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylideneimidazole?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylideneimidazole (CID 70629609) is 2-cyclohexa-2,4-dien-1-ylideneimidazole.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylideneimidazole?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylideneimidazole is C1=CCC(=C2N=CC=N2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylideneimidazole?
The InChIKey is RXXKBXHXAIOVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-4,6-7H,5H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylideneimidazole?
2-cyclohexa-2,4-dien-1-ylideneimidazole has a molecular weight of 144.18 g/mol, XLogP of 1.87, 0 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-ylideneimidazole is sourced from PubChem (CID 70629609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).