(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C23H21FN2O — CID 59655339

IUPAC(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(COCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H21FN2O/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+
InChIKeyMXCDPKADSVXHKU-ZRZAMGCNSA-N
MW360.43 g/mol
LogP4.83
Rot. Bonds6

About (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 59655339) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID59655339
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(COCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H21FN2O/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+
InChIKeyMXCDPKADSVXHKU-ZRZAMGCNSA-N
XLogP4.83
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 59655339) is (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(COCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1.
What is the InChIKey of (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is MXCDPKADSVXHKU-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-20-13-7-8-17(14-20)15-27-16-21-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+.
What are the key properties of (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 360.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[(3-fluorophenyl)methoxymethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).