1-(7-methyloctyl)imidazole

C12H22N2 — CID 59001100

IUPAC1-(7-methyloctyl)imidazole
SMILESCC(C)CCCCCCn1ccnc1
InChIInChI=1S/C12H22N2/c1-12(2)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeyVJSNTSGTLCZTQK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.49
Rot. Bonds7

About 1-(7-methyloctyl)imidazole

1-(7-methyloctyl)imidazole (PubChem CID 59001100) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(7-methyloctyl)imidazole.

Molecular Properties

Compound Name1-(7-methyloctyl)imidazole
PubChem CID59001100
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(7-methyloctyl)imidazole
SMILESCC(C)CCCCCCn1ccnc1
InChIInChI=1S/C12H22N2/c1-12(2)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeyVJSNTSGTLCZTQK-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
(3S)-8-imidazol-1-yl-3-methyloctanoic acid;hydrochloride
CID 70550250
1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-nonylimidazole;hydrobromide
CID 175434544
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(11,11-dimethyldodecyl)imidazole
CID 118887404

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)imidazole?
The IUPAC name of 1-(7-methyloctyl)imidazole (CID 59001100) is 1-(7-methyloctyl)imidazole.
What is the SMILES notation for 1-(7-methyloctyl)imidazole?
The canonical SMILES for 1-(7-methyloctyl)imidazole is CC(C)CCCCCCn1ccnc1.
What is the InChIKey of 1-(7-methyloctyl)imidazole?
The InChIKey is VJSNTSGTLCZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of 1-(7-methyloctyl)imidazole?
1-(7-methyloctyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)imidazole is sourced from PubChem (CID 59001100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).