(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole

C24H24N2O3 — CID 5147150

IUPAC(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C24H24N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15,22-23H,1-3H3,(H,25,26)/t22-,23+
InChIKeyCOFINZKQFSLCKX-ZRZAMGCNSA-N
MW388.47 g/mol
LogP4.54
Rot. Bonds6

About (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 5147150) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID5147150
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C24H24N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15,22-23H,1-3H3,(H,25,26)/t22-,23+
InChIKeyCOFINZKQFSLCKX-ZRZAMGCNSA-N
XLogP4.54
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole (CID 5147150) is (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1.
What is the InChIKey of (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is COFINZKQFSLCKX-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15,22-23H,1-3H3,(H,25,26)/t22-,23+.
What are the key properties of (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 388.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5147150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).