2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole

C17H30FIN2 — CID 146377740

IUPAC2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1c(I)nc(F)n1C
InChIInChI=1S/C17H30FIN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)14-15(19)20-16(18)21(14)4/h5-13H2,1-4H3
InChIKeyBNSZUWSKEHGQPF-UHFFFAOYSA-N
MW408.34 g/mol
LogP5.97
Rot. Bonds10

About 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole

2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole (PubChem CID 146377740) has the molecular formula C17H30FIN2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole
PubChem CID146377740
Molecular FormulaC17H30FIN2
Molecular Weight408.34 g/mol
Exact Mass408.14
IUPAC Name2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1c(I)nc(F)n1C
InChIInChI=1S/C17H30FIN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)14-15(19)20-16(18)21(14)4/h5-13H2,1-4H3
InChIKeyBNSZUWSKEHGQPF-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole (CID 146377740) is 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1c(I)nc(F)n1C.
What is the InChIKey of 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole?
The InChIKey is BNSZUWSKEHGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FIN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)14-15(19)20-16(18)21(14)4/h5-13H2,1-4H3.
What are the key properties of 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole?
2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole has a molecular weight of 408.34 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146377740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).