5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole

C23H24ClFN4 — CID 69119095

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(C)c1Cc1cnc[nH]1.Fc1cccc(Cl)c1Cc1cnc[nH]1
InChIInChI=1S/C13H16N2.C10H8ClFN2/c1-3-11-6-4-5-10(2)13(11)7-12-8-14-9-15-12;11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7/h4-6,8-9H,3,7H2,1-2H3,(H,14,15);1-3,5-6H,4H2,(H,13,14)
InChIKeyWCXASBQBRFRPLT-UHFFFAOYSA-N
MW410.92 g/mol
LogP5.66
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole

5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole (PubChem CID 69119095) has the molecular formula C23H24ClFN4 and a molecular weight of 410.92 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole
PubChem CID69119095
Molecular FormulaC23H24ClFN4
Molecular Weight410.92 g/mol
Exact Mass410.17
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(C)c1Cc1cnc[nH]1.Fc1cccc(Cl)c1Cc1cnc[nH]1
InChIInChI=1S/C13H16N2.C10H8ClFN2/c1-3-11-6-4-5-10(2)13(11)7-12-8-14-9-15-12;11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7/h4-6,8-9H,3,7H2,1-2H3,(H,14,15);1-3,5-6H,4H2,(H,13,14)
InChIKeyWCXASBQBRFRPLT-UHFFFAOYSA-N
XLogP5.66
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole (CID 69119095) is 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole is CCc1cccc(C)c1Cc1cnc[nH]1.Fc1cccc(Cl)c1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole?
The InChIKey is WCXASBQBRFRPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C10H8ClFN2/c1-3-11-6-4-5-10(2)13(11)7-12-8-14-9-15-12;11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7/h4-6,8-9H,3,7H2,1-2H3,(H,14,15);1-3,5-6H,4H2,(H,13,14).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole?
5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole has a molecular weight of 410.92 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 69119095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).