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

C24H24N2O — CID 11439704

IUPAC(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C24H24N2O/c1-27-21-15-9-8-10-18(21)16-17-22-25-23(19-11-4-2-5-12-19)24(26-22)20-13-6-3-7-14-20/h2-15,23-24H,16-17H2,1H3,(H,25,26)/t23-,24+
InChIKeyJUWYIWVRSCNDPH-PSWAGMNNSA-N
MW356.47 g/mol
LogP5.11
Rot. Bonds6

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

(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11439704) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11439704
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C24H24N2O/c1-27-21-15-9-8-10-18(21)16-17-22-25-23(19-11-4-2-5-12-19)24(26-22)20-13-6-3-7-14-20/h2-15,23-24H,16-17H2,1H3,(H,25,26)/t23-,24+
InChIKeyJUWYIWVRSCNDPH-PSWAGMNNSA-N
XLogP5.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.11
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-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11439704) is (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is COc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is JUWYIWVRSCNDPH-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H24N2O/c1-27-21-15-9-8-10-18(21)16-17-22-25-23(19-11-4-2-5-12-19)24(26-22)20-13-6-3-7-14-20/h2-15,23-24H,16-17H2,1H3,(H,25,26)/t23-,24+.
What are the key properties of (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 356.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11439704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).