(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C23H21FN2 — CID 68567391

IUPAC(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCc1ccc(CC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1F
InChIInChI=1S/C23H21FN2/c1-16-12-13-17(14-20(16)24)15-21-25-22(18-8-4-2-5-9-18)23(26-21)19-10-6-3-7-11-19/h2-14,22-23H,15H2,1H3,(H,25,26)/t22-,23+
InChIKeyQCLBGQHUNITCRV-ZRZAMGCNSA-N
MW344.43 g/mol
LogP5.16
Rot. Bonds4

About (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68567391) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68567391
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCc1ccc(CC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1F
InChIInChI=1S/C23H21FN2/c1-16-12-13-17(14-20(16)24)15-21-25-22(18-8-4-2-5-9-18)23(26-21)19-10-6-3-7-11-19/h2-14,22-23H,15H2,1H3,(H,25,26)/t22-,23+
InChIKeyQCLBGQHUNITCRV-ZRZAMGCNSA-N
XLogP5.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68567391) is (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Cc1ccc(CC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1F.
What is the InChIKey of (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is QCLBGQHUNITCRV-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H21FN2/c1-16-12-13-17(14-20(16)24)15-21-25-22(18-8-4-2-5-9-18)23(26-21)19-10-6-3-7-11-19/h2-14,22-23H,15H2,1H3,(H,25,26)/t22-,23+.
What are the key properties of (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 344.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68567391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).