1-methyl-3-octadecan-8-yl-2H-imidazole

C22H44N2 — CID 174675256

IUPAC1-methyl-3-octadecan-8-yl-2H-imidazole
SMILESCCCCCCCCCCC(CCCCCCC)N1C=CN(C)C1
InChIInChI=1S/C22H44N2/c1-4-6-8-10-11-12-14-16-18-22(17-15-13-9-7-5-2)24-20-19-23(3)21-24/h19-20,22H,4-18,21H2,1-3H3
InChIKeyUQQZFCHVSVMNKM-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.92
Rot. Bonds16

About 1-methyl-3-octadecan-8-yl-2H-imidazole

1-methyl-3-octadecan-8-yl-2H-imidazole (PubChem CID 174675256) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-methyl-3-octadecan-8-yl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-octadecan-8-yl-2H-imidazole
PubChem CID174675256
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-methyl-3-octadecan-8-yl-2H-imidazole
SMILESCCCCCCCCCCC(CCCCCCC)N1C=CN(C)C1
InChIInChI=1S/C22H44N2/c1-4-6-8-10-11-12-14-16-18-22(17-15-13-9-7-5-2)24-20-19-23(3)21-24/h19-20,22H,4-18,21H2,1-3H3
InChIKeyUQQZFCHVSVMNKM-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.92
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-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-[1,20-diiodo-20-(3-methyl-2H-imidazol-1-yl)icosyl]-3-methyl-2H-imidazole
CID 67442015
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride
CID 175593692
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-(1-hexadecoxypropan-2-yl)-3-methyl-2H-imidazole;hydrobromide
CID 173329866
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-octadecan-8-yl-2H-imidazole?
The IUPAC name of 1-methyl-3-octadecan-8-yl-2H-imidazole (CID 174675256) is 1-methyl-3-octadecan-8-yl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-octadecan-8-yl-2H-imidazole?
The canonical SMILES for 1-methyl-3-octadecan-8-yl-2H-imidazole is CCCCCCCCCCC(CCCCCCC)N1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-octadecan-8-yl-2H-imidazole?
The InChIKey is UQQZFCHVSVMNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-4-6-8-10-11-12-14-16-18-22(17-15-13-9-7-5-2)24-20-19-23(3)21-24/h19-20,22H,4-18,21H2,1-3H3.
What are the key properties of 1-methyl-3-octadecan-8-yl-2H-imidazole?
1-methyl-3-octadecan-8-yl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octadecan-8-yl-2H-imidazole is sourced from PubChem (CID 174675256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).