4-chloro-5-methyl-2-tetradecyl-1H-imidazole

C18H33ClN2 — CID 163997972

IUPAC4-chloro-5-methyl-2-tetradecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCc1nc(Cl)c(C)[nH]1
InChIInChI=1S/C18H33ClN2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-16(2)18(19)21-17/h3-15H2,1-2H3,(H,20,21)
InChIKeyUGJSLQJHIKYEDT-UHFFFAOYSA-N
MW312.93 g/mol
LogP6.62
Rot. Bonds13

About 4-chloro-5-methyl-2-tetradecyl-1H-imidazole

4-chloro-5-methyl-2-tetradecyl-1H-imidazole (PubChem CID 163997972) has the molecular formula C18H33ClN2 and a molecular weight of 312.93 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-tetradecyl-1H-imidazole.

Molecular Properties

Compound Name4-chloro-5-methyl-2-tetradecyl-1H-imidazole
PubChem CID163997972
Molecular FormulaC18H33ClN2
Molecular Weight312.93 g/mol
Exact Mass312.23
IUPAC Name4-chloro-5-methyl-2-tetradecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCc1nc(Cl)c(C)[nH]1
InChIInChI=1S/C18H33ClN2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-16(2)18(19)21-17/h3-15H2,1-2H3,(H,20,21)
InChIKeyUGJSLQJHIKYEDT-UHFFFAOYSA-N
XLogP6.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.93
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-heptadecyl-5-methyl-1H-imidazole
CID 101319950
4-bromo-5-methyl-2-tetradecyl-1H-imidazole
CID 101319947
5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
CID 5383665
2-(2-heptyl-5-methyl-1H-imidazol-4-yl)propanenitrile
CID 139791034
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
2-hexyl-5-methyl-1H-imidazole-4-carboxylic acid
CID 167093860
1-(5-methyl-2-nonyl-1H-imidazol-4-yl)propan-1-amine
CID 141279115
1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine
CID 141279090
2-butyl-5-methyl-1H-imidazol-4-ol
CID 67585569
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
CID 76850733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-tetradecyl-1H-imidazole?
The IUPAC name of 4-chloro-5-methyl-2-tetradecyl-1H-imidazole (CID 163997972) is 4-chloro-5-methyl-2-tetradecyl-1H-imidazole.
What is the SMILES notation for 4-chloro-5-methyl-2-tetradecyl-1H-imidazole?
The canonical SMILES for 4-chloro-5-methyl-2-tetradecyl-1H-imidazole is CCCCCCCCCCCCCCc1nc(Cl)c(C)[nH]1.
What is the InChIKey of 4-chloro-5-methyl-2-tetradecyl-1H-imidazole?
The InChIKey is UGJSLQJHIKYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33ClN2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-16(2)18(19)21-17/h3-15H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-5-methyl-2-tetradecyl-1H-imidazole?
4-chloro-5-methyl-2-tetradecyl-1H-imidazole has a molecular weight of 312.93 g/mol, XLogP of 6.62, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-tetradecyl-1H-imidazole is sourced from PubChem (CID 163997972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).