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

C16H29FN2 — CID 146377970

IUPAC4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]cnc1F
InChIInChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-15(17)19-13-18-14/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyBFUSTFRJVMJOSK-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.36
Rot. Bonds10

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

4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146377970) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146377970
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]cnc1F
InChIInChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-15(17)19-13-18-14/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyBFUSTFRJVMJOSK-UHFFFAOYSA-N
XLogP5.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-bis(2-methylpropyl)-1H-imidazole
CID 21321312
5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole
CID 141201634
5-tert-butyl-4-fluoro-1H-imidazole
CID 146376813
5-Fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146376883
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
2,4-Difluoro-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377518
4-Fluoro-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377718
2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377833
4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377845
2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377853
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146378019

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146377970) is 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1[nH]cnc1F.
What is the InChIKey of 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is BFUSTFRJVMJOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-15(17)19-13-18-14/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 268.42 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146377970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).