2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole

C11H12ClFN2 — CID 58951797

IUPAC2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)c(CC2=NCCN2)c1F
InChIInChI=1S/C11H12ClFN2/c1-7-2-3-9(12)8(11(7)13)6-10-14-4-5-15-10/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyKRQYTDMSBFEXIR-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.33
Rot. Bonds2

About 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951797) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID58951797
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)c(CC2=NCCN2)c1F
InChIInChI=1S/C11H12ClFN2/c1-7-2-3-9(12)8(11(7)13)6-10-14-4-5-15-10/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyKRQYTDMSBFEXIR-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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St 1913
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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 58951797) is 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1ccc(Cl)c(CC2=NCCN2)c1F.
What is the InChIKey of 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KRQYTDMSBFEXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-7-2-3-9(12)8(11(7)13)6-10-14-4-5-15-10/h2-3H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 226.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).