4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole

C16H28ClFN2 — CID 146377845

IUPAC4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Cl
InChIInChI=1S/C16H28ClFN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyCJQVNNSVUVYEOU-UHFFFAOYSA-N
MW302.87 g/mol
LogP6.01
Rot. Bonds10

About 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole

4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146377845) has the molecular formula C16H28ClFN2 and a molecular weight of 302.87 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146377845
Molecular FormulaC16H28ClFN2
Molecular Weight302.87 g/mol
Exact Mass302.19
IUPAC Name4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Cl
InChIInChI=1S/C16H28ClFN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyCJQVNNSVUVYEOU-UHFFFAOYSA-N
XLogP6.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.87
LogP ≤ 56.01
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-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376889
2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376892
5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
CID 146377696
4-Chloro-2-fluoro-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377737
2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377853
5-Chloro-2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146377943
4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377970
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146378019
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
2,4-dichloro-5-hexyl-1H-imidazole
CID 68510275
2,4-dichloro-5-pentyl-1H-imidazole
CID 68515854
4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine
CID 70337934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146377845) is 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is CJQVNNSVUVYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClFN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20).
What are the key properties of 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 302.87 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146377845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).