(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C21H17FN2 — CID 131848223

IUPAC(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C21H17FN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H,(H,23,24)/t19-,20+
InChIKeyRYLJLTBLCUHQIZ-BGYRXZFFSA-N
MW316.38 g/mol
LogP4.66
Rot. Bonds3

About (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 131848223) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID131848223
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C21H17FN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H,(H,23,24)/t19-,20+
InChIKeyRYLJLTBLCUHQIZ-BGYRXZFFSA-N
XLogP4.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 131848223) is (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is RYLJLTBLCUHQIZ-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H17FN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H,(H,23,24)/t19-,20+.
What are the key properties of (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 316.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 131848223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).