2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole

C8H15FN2 — CID 66681704

IUPAC2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCC(C)CN1C=CN(C)C1F
InChIInChI=1S/C8H15FN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3
InChIKeyFMFQBQXZWQYWHQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.61
Rot. Bonds2

About 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole

2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole (PubChem CID 66681704) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole
PubChem CID66681704
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCC(C)CN1C=CN(C)C1F
InChIInChI=1S/C8H15FN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3
InChIKeyFMFQBQXZWQYWHQ-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The IUPAC name of 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole (CID 66681704) is 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The canonical SMILES for 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole is CC(C)CN1C=CN(C)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The InChIKey is FMFQBQXZWQYWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole?
2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole has a molecular weight of 158.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole is sourced from PubChem (CID 66681704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).