2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole

C18H17FN2O — CID 91323200

IUPAC2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole
SMILESCOc1cc(-c2ccccc2F)c(Cc2ncc[nH]2)cc1C
InChIInChI=1S/C18H17FN2O/c1-12-9-13(10-18-20-7-8-21-18)15(11-17(12)22-2)14-5-3-4-6-16(14)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDPJDSCBXJBHNLK-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.12
Rot. Bonds4

About 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole

2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole (PubChem CID 91323200) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole
PubChem CID91323200
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole
SMILESCOc1cc(-c2ccccc2F)c(Cc2ncc[nH]2)cc1C
InChIInChI=1S/C18H17FN2O/c1-12-9-13(10-18-20-7-8-21-18)15(11-17(12)22-2)14-5-3-4-6-16(14)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDPJDSCBXJBHNLK-UHFFFAOYSA-N
XLogP4.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole (CID 91323200) is 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole is COc1cc(-c2ccccc2F)c(Cc2ncc[nH]2)cc1C.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole?
The InChIKey is DPJDSCBXJBHNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-9-13(10-18-20-7-8-21-18)15(11-17(12)22-2)14-5-3-4-6-16(14)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole?
2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole has a molecular weight of 296.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-4-methoxy-5-methylphenyl]methyl]-1H-imidazole is sourced from PubChem (CID 91323200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).