1-methyl-3-octadecyl-2H-imidazole;hydrochloride

C22H45ClN2 — CID 173017387

IUPAC1-methyl-3-octadecyl-2H-imidazole;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C)C1.Cl
InChIInChI=1S/C22H44N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;/h20-21H,3-19,22H2,1-2H3;1H
InChIKeyIVMLZVOWQDGSCK-UHFFFAOYSA-N
MW373.07 g/mol
LogP7.35
Rot. Bonds17

About 1-methyl-3-octadecyl-2H-imidazole;hydrochloride

1-methyl-3-octadecyl-2H-imidazole;hydrochloride (PubChem CID 173017387) has the molecular formula C22H45ClN2 and a molecular weight of 373.07 g/mol. Its IUPAC name is 1-methyl-3-octadecyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-octadecyl-2H-imidazole;hydrochloride
PubChem CID173017387
Molecular FormulaC22H45ClN2
Molecular Weight373.07 g/mol
Exact Mass372.33
IUPAC Name1-methyl-3-octadecyl-2H-imidazole;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C)C1.Cl
InChIInChI=1S/C22H44N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;/h20-21H,3-19,22H2,1-2H3;1H
InChIKeyIVMLZVOWQDGSCK-UHFFFAOYSA-N
XLogP7.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 57.35
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-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
1-butyl-3-methyl-2H-imidazole
CID 10265934
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-octadecyl-2H-imidazole;hydrochloride?
The IUPAC name of 1-methyl-3-octadecyl-2H-imidazole;hydrochloride (CID 173017387) is 1-methyl-3-octadecyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-methyl-3-octadecyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1-methyl-3-octadecyl-2H-imidazole;hydrochloride is CCCCCCCCCCCCCCCCCCN1C=CN(C)C1.Cl.
What is the InChIKey of 1-methyl-3-octadecyl-2H-imidazole;hydrochloride?
The InChIKey is IVMLZVOWQDGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;/h20-21H,3-19,22H2,1-2H3;1H.
What are the key properties of 1-methyl-3-octadecyl-2H-imidazole;hydrochloride?
1-methyl-3-octadecyl-2H-imidazole;hydrochloride has a molecular weight of 373.07 g/mol, XLogP of 7.35, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octadecyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 173017387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).