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

C16H28BrFN2 — CID 146376889

IUPAC4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Br
InChIInChI=1S/C16H28BrFN2/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)
InChIKeyCDUXFZZPNHSCQP-UHFFFAOYSA-N
MW347.32 g/mol
LogP6.12
Rot. Bonds10

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

4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146376889) has the molecular formula C16H28BrFN2 and a molecular weight of 347.32 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146376889
Molecular FormulaC16H28BrFN2
Molecular Weight347.32 g/mol
Exact Mass346.14
IUPAC Name4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Br
InChIInChI=1S/C16H28BrFN2/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)
InChIKeyCDUXFZZPNHSCQP-UHFFFAOYSA-N
XLogP6.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.32
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-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

2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376892
5-Bromo-2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146377761
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
4-Bromo-2-fluoro-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377952
4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377970
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146378019
4-bromo-5-tert-butyl-2-fluoro-1H-imidazole
CID 147564719
2,4-dibromo-5-pentyl-1H-imidazole
CID 68513062
2,4-dibromo-5-hexyl-1H-imidazole
CID 68513830
4-bromo-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377979
4-bromo-5-hexyl-2-methyl-1H-imidazole
CID 149916436

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146376889) is 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1[nH]c(F)nc1Br.
What is the InChIKey of 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is CDUXFZZPNHSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrFN2/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-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 347.32 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).