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

C23H22N2O — CID 68568247

IUPAC(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccccc1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C23H22N2O/c1-26-20-15-9-8-14-19(20)16-21-24-22(17-10-4-2-5-11-17)23(25-21)18-12-6-3-7-13-18/h2-15,22-23H,16H2,1H3,(H,24,25)/t22-,23+
InChIKeyYFPQCRFINVRXHQ-ZRZAMGCNSA-N
MW342.44 g/mol
LogP4.72
Rot. Bonds5

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

(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568247) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568247
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccccc1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C23H22N2O/c1-26-20-15-9-8-14-19(20)16-21-24-22(17-10-4-2-5-11-17)23(25-21)18-12-6-3-7-13-18/h2-15,22-23H,16H2,1H3,(H,24,25)/t22-,23+
InChIKeyYFPQCRFINVRXHQ-ZRZAMGCNSA-N
XLogP4.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568247) is (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is COc1ccccc1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is YFPQCRFINVRXHQ-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H22N2O/c1-26-20-15-9-8-14-19(20)16-21-24-22(17-10-4-2-5-11-17)23(25-21)18-12-6-3-7-13-18/h2-15,22-23H,16H2,1H3,(H,24,25)/t22-,23+.
What are the key properties of (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 342.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).