(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole

C22H17Cl2FN2O — CID 59093176

IUPAC(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(F)c1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-18-4-2-3-17(25)19(18)22-26-20(13-5-9-15(23)10-6-13)21(27-22)14-7-11-16(24)12-8-14/h2-12,20-21H,1H3,(H,26,27)/t20-,21+
InChIKeyLXXKWWJSJVMYAB-OYRHEFFESA-N
MW415.30 g/mol
LogP5.97
Rot. Bonds4

About (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 59093176) has the molecular formula C22H17Cl2FN2O and a molecular weight of 415.30 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID59093176
Molecular FormulaC22H17Cl2FN2O
Molecular Weight415.30 g/mol
Exact Mass414.07
IUPAC Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(F)c1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-18-4-2-3-17(25)19(18)22-26-20(13-5-9-15(23)10-6-13)21(27-22)14-7-11-16(24)12-8-14/h2-12,20-21H,1H3,(H,26,27)/t20-,21+
InChIKeyLXXKWWJSJVMYAB-OYRHEFFESA-N
XLogP5.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.30
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole (CID 59093176) is (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole is COc1cccc(F)c1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LXXKWWJSJVMYAB-OYRHEFFESA-N. The full InChI is InChI=1S/C22H17Cl2FN2O/c1-28-18-4-2-3-17(25)19(18)22-26-20(13-5-9-15(23)10-6-13)21(27-22)14-7-11-16(24)12-8-14/h2-12,20-21H,1H3,(H,26,27)/t20-,21+.
What are the key properties of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 415.30 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59093176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).