2-non-6-enyl-1H-imidazole

C12H20N2 — CID 86054403

IUPAC2-non-6-enyl-1H-imidazole
SMILESCCC=CCCCCCc1ncc[nH]1
InChIInChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,10-11H,2,5-9H2,1H3,(H,13,14)
InChIKeyASFUKESPLYVAHT-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.48
Rot. Bonds7

About 2-non-6-enyl-1H-imidazole

2-non-6-enyl-1H-imidazole (PubChem CID 86054403) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-non-6-enyl-1H-imidazole.

Molecular Properties

Compound Name2-non-6-enyl-1H-imidazole
PubChem CID86054403
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-non-6-enyl-1H-imidazole
SMILESCCC=CCCCCCc1ncc[nH]1
InChIInChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,10-11H,2,5-9H2,1H3,(H,13,14)
InChIKeyASFUKESPLYVAHT-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole, 2-undecyl-
CID 85582
1H-Imidazole, 2-heptadecyl-
CID 90068
2-butyl-1H-imidazole
CID 11815351
2-Nonyl-1H-imidazole
CID 22998707
2-Subsituted 1H-imidazole, 23
CID 57339816
2-dec-9-enyl-1H-imidazole
CID 42604659
2-Subsituted 1H-imidazole, 26
CID 57339817
2-Subsituted 1H-imidazole, 28
CID 57339818
2-[(E)-heptadec-8-enyl]-1H-imidazole
CID 44582982
(1R,4R,5R)-4-(1H-imidazol-2-yl)-2,2,6-trimethyl-3-azabicyclo[3.3.1]non-6-ene
CID 177381471
1H-Imidazole-2-butanamine
CID 13290799
2-Hexyl-1H-imidazole
CID 15088614

Frequently Asked Questions

What is the IUPAC name of 2-non-6-enyl-1H-imidazole?
The IUPAC name of 2-non-6-enyl-1H-imidazole (CID 86054403) is 2-non-6-enyl-1H-imidazole.
What is the SMILES notation for 2-non-6-enyl-1H-imidazole?
The canonical SMILES for 2-non-6-enyl-1H-imidazole is CCC=CCCCCCc1ncc[nH]1.
What is the InChIKey of 2-non-6-enyl-1H-imidazole?
The InChIKey is ASFUKESPLYVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,10-11H,2,5-9H2,1H3,(H,13,14).
What are the key properties of 2-non-6-enyl-1H-imidazole?
2-non-6-enyl-1H-imidazole has a molecular weight of 192.31 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-6-enyl-1H-imidazole is sourced from PubChem (CID 86054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).