1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole

C18H14ClFN2O — CID 19843322

IUPAC1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole
SMILESFc1cccc2c1COC2(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2O/c19-14-6-4-13(5-7-14)18(11-22-9-8-21-12-22)16-2-1-3-17(20)15(16)10-23-18/h1-9,12H,10-11H2
InChIKeySQNRNLKKGWEWNP-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.15
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole

1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole (PubChem CID 19843322) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole
PubChem CID19843322
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole
SMILESFc1cccc2c1COC2(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2O/c19-14-6-4-13(5-7-14)18(11-22-9-8-21-12-22)16-2-1-3-17(20)15(16)10-23-18/h1-9,12H,10-11H2
InChIKeySQNRNLKKGWEWNP-UHFFFAOYSA-N
XLogP4.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Miconazole
CID 4189
Imazalil
CID 37175
Econazole
CID 3198
Isoconazole
CID 3760
(S)-miconazole
CID 969503
(R)-Miconazole
CID 1150344
Econazole, (R)-
CID 6604378
Isoconazole, (R)-
CID 6604385
(S)-econazole
CID 12773795
1-[2-(2,4-Dichlorophenyl)-2-(2-naphthylmethoxy)ethyl]imidazole
CID 3009082
(R)-Enilconazole
CID 6604394
1-[4-(4-Chlorophenyl)-2-[(4-fluorophenyl)methoxy]butyl]imidazole;hydrochloride
CID 25143074

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole?
The IUPAC name of 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole (CID 19843322) is 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole is Fc1cccc2c1COC2(Cn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole?
The InChIKey is SQNRNLKKGWEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-14-6-4-13(5-7-14)18(11-22-9-8-21-12-22)16-2-1-3-17(20)15(16)10-23-18/h1-9,12H,10-11H2.
What are the key properties of 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole?
1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole has a molecular weight of 328.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole is sourced from PubChem (CID 19843322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).