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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Related Compounds

2-[(Z)-but-2-en-2-yl]-1H-imidazole
CID 169206426
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
3-(1H-imidazol-2-yl)-2-methylbut-2-enal
CID 140612646
2-(hydroxymethyl)-1-(1H-imidazol-2-yl)but-3-en-1-one
CID 19018083
(Z)-1-(1H-imidazol-2-yl)ethylidenehydrazine
CID 137270945
bis(1H-imidazol-2-yl)methanethione
CID 11412697
3-chloro-1-(1H-imidazol-2-yl)propan-1-one
CID 19700809
6-(1H-imidazol-2-yl)-2-methyl-6-oxohex-2-enoic acid
CID 70351251
but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide
CID 142565900
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole
CID 70464310
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
CID 131898376

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).