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

C17H31FN2 — CID 146376892

IUPAC2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1nc(F)[nH]c1C
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(4,12-10-8-6-2)15-14(3)19-16(18)20-15/h5-13H2,1-4H3,(H,19,20)
InChIKeyFQFRMTGVEYSKQF-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.67
Rot. Bonds10

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

2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146376892) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146376892
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1nc(F)[nH]c1C
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(4,12-10-8-6-2)15-14(3)19-16(18)20-15/h5-13H2,1-4H3,(H,19,20)
InChIKeyFQFRMTGVEYSKQF-UHFFFAOYSA-N
XLogP5.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.67
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

2-methyl-4,5-dipropyl-1H-imidazole
CID 20156512
4,5-bis(2-methylpropyl)-1H-imidazole
CID 21321312
2,4,5-tripropyl-1H-imidazole
CID 24974633
4-ethyl-2-methyl-5-propyl-1H-imidazole
CID 67591389
2,4,5-tributyl-1H-imidazole
CID 90214593
4,5-ditert-butyl-1H-imidazol-2-amine
CID 139230318
3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine
CID 23343228
3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 23343250
1-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-3-fluoropropan-2-amine
CID 23343261
4-(4,5-dipentyl-1H-imidazol-2-yl)-3,5-difluorohepta-1,6-dien-4-amine
CID 70520828
N-(1,1,1,2,3,3-hexafluoropropan-2-yl)-4,5-dipentyl-1H-imidazol-2-amine
CID 88475160
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4,5-dipentyl-1H-imidazol-2-amine
CID 88475162

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole (CID 146376892) is 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1nc(F)[nH]c1C.
What is the InChIKey of 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is FQFRMTGVEYSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-5-7-9-11-13-17(4,12-10-8-6-2)15-14(3)19-16(18)20-15/h5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole?
2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 282.45 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146376892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).