(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

C24H22F2N2 — CID 68568777

IUPAC(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CCC1=N[C@H](c2cccc(F)c2)[C@H](c2cccc(F)c2)N1
InChIInChI=1S/C24H22F2N2/c1-16-6-2-3-7-17(16)12-13-22-27-23(18-8-4-10-20(25)14-18)24(28-22)19-9-5-11-21(26)15-19/h2-11,14-15,23-24H,12-13H2,1H3,(H,27,28)/t23-,24+
InChIKeyGSLSTTLKBFMGIB-PSWAGMNNSA-N
MW376.45 g/mol
LogP5.69
Rot. Bonds5

About (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 68568777) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID68568777
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CCC1=N[C@H](c2cccc(F)c2)[C@H](c2cccc(F)c2)N1
InChIInChI=1S/C24H22F2N2/c1-16-6-2-3-7-17(16)12-13-22-27-23(18-8-4-10-20(25)14-18)24(28-22)19-9-5-11-21(26)15-19/h2-11,14-15,23-24H,12-13H2,1H3,(H,27,28)/t23-,24+
InChIKeyGSLSTTLKBFMGIB-PSWAGMNNSA-N
XLogP5.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 68568777) is (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is Cc1ccccc1CCC1=N[C@H](c2cccc(F)c2)[C@H](c2cccc(F)c2)N1.
What is the InChIKey of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GSLSTTLKBFMGIB-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-16-6-2-3-7-17(16)12-13-22-27-23(18-8-4-10-20(25)14-18)24(28-22)19-9-5-11-21(26)15-19/h2-11,14-15,23-24H,12-13H2,1H3,(H,27,28)/t23-,24+.
What are the key properties of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 376.45 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).