2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole

C10H14N2 — CID 152727860

IUPAC2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole
SMILESC=CC(=C(C)CC)c1ncc[nH]1
InChIInChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h5-7H,2,4H2,1,3H3,(H,11,12)
InChIKeyZWZKBHWXBFNFEQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole

2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole (PubChem CID 152727860) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole
PubChem CID152727860
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole
SMILESC=CC(=C(C)CC)c1ncc[nH]1
InChIInChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h5-7H,2,4H2,1,3H3,(H,11,12)
InChIKeyZWZKBHWXBFNFEQ-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole?
The IUPAC name of 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole (CID 152727860) is 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole?
The canonical SMILES for 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole is C=CC(=C(C)CC)c1ncc[nH]1.
What is the InChIKey of 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole?
The InChIKey is ZWZKBHWXBFNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h5-7H,2,4H2,1,3H3,(H,11,12).
What are the key properties of 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole?
2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylhexa-1,3-dien-3-yl)-1H-imidazole is sourced from PubChem (CID 152727860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).