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

C24H22F2N2 — CID 68566679

IUPAC(4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(CCC2=N[C@@H](c3cccc(F)c3)[C@@H](c3cccc(F)c3)N2)c1
InChIInChI=1S/C24H22F2N2/c1-16-5-2-6-17(13-16)11-12-22-27-23(18-7-3-9-20(25)14-18)24(28-22)19-8-4-10-21(26)15-19/h2-10,13-15,23-24H,11-12H2,1H3,(H,27,28)/t23-,24+
InChIKeyCEYQXVCLEXSEQA-PSWAGMNNSA-N
MW376.45 g/mol
LogP5.69
Rot. Bonds5

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

(4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 68566679) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID68566679
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name(4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(CCC2=N[C@@H](c3cccc(F)c3)[C@@H](c3cccc(F)c3)N2)c1
InChIInChI=1S/C24H22F2N2/c1-16-5-2-6-17(13-16)11-12-22-27-23(18-7-3-9-20(25)14-18)24(28-22)19-8-4-10-21(26)15-19/h2-10,13-15,23-24H,11-12H2,1H3,(H,27,28)/t23-,24+
InChIKeyCEYQXVCLEXSEQA-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 (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 68566679) is (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is Cc1cccc(CCC2=N[C@@H](c3cccc(F)c3)[C@@H](c3cccc(F)c3)N2)c1.
What is the InChIKey of (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CEYQXVCLEXSEQA-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-16-5-2-6-17(13-16)11-12-22-27-23(18-7-3-9-20(25)14-18)24(28-22)19-8-4-10-21(26)15-19/h2-10,13-15,23-24H,11-12H2,1H3,(H,27,28)/t23-,24+.
What are the key properties of (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-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 (4S,5R)-4,5-bis(3-fluorophenyl)-2-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68566679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).