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

C24H24N2O2 — CID 11199599

IUPAC(4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1OC
InChIInChI=1S/C24H24N2O2/c1-27-20-15-9-14-19(24(20)28-2)16-21-25-22(17-10-5-3-6-11-17)23(26-21)18-12-7-4-8-13-18/h3-15,22-23H,16H2,1-2H3,(H,25,26)/t22-,23+
InChIKeyZLPMLZJXFKHTMC-ZRZAMGCNSA-N
MW372.47 g/mol
LogP4.73
Rot. Bonds6

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

(4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11199599) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11199599
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1OC
InChIInChI=1S/C24H24N2O2/c1-27-20-15-9-14-19(24(20)28-2)16-21-25-22(17-10-5-3-6-11-17)23(26-21)18-12-7-4-8-13-18/h3-15,22-23H,16H2,1-2H3,(H,25,26)/t22-,23+
InChIKeyZLPMLZJXFKHTMC-ZRZAMGCNSA-N
XLogP4.73
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11199599) is (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is COc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1OC.
What is the InChIKey of (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is ZLPMLZJXFKHTMC-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-27-20-15-9-14-19(24(20)28-2)16-21-25-22(17-10-5-3-6-11-17)23(26-21)18-12-7-4-8-13-18/h3-15,22-23H,16H2,1-2H3,(H,25,26)/t22-,23+.
What are the key properties of (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 372.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2,3-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11199599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).