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

C25H26N2O2 — CID 68568417

IUPAC(4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1OC
InChIInChI=1S/C25H26N2O2/c1-28-21-15-13-18(17-22(21)29-2)14-16-23-26-24(19-9-5-3-6-10-19)25(27-23)20-11-7-4-8-12-20/h3-13,15,17,24-25H,14,16H2,1-2H3,(H,26,27)/t24-,25+
InChIKeyUOSZYARFRUWLRL-PLQXJYEYSA-N
MW386.50 g/mol
LogP5.12
Rot. Bonds7

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

(4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568417) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568417
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1OC
InChIInChI=1S/C25H26N2O2/c1-28-21-15-13-18(17-22(21)29-2)14-16-23-26-24(19-9-5-3-6-10-19)25(27-23)20-11-7-4-8-12-20/h3-13,15,17,24-25H,14,16H2,1-2H3,(H,26,27)/t24-,25+
InChIKeyUOSZYARFRUWLRL-PLQXJYEYSA-N
XLogP5.12
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568417) is (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is COc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1OC.
What is the InChIKey of (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is UOSZYARFRUWLRL-PLQXJYEYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-28-21-15-13-18(17-22(21)29-2)14-16-23-26-24(19-9-5-3-6-10-19)25(27-23)20-11-7-4-8-12-20/h3-13,15,17,24-25H,14,16H2,1-2H3,(H,26,27)/t24-,25+.
What are the key properties of (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 386.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).