(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H18F2N2 — CID 68568336

IUPAC(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(F)c1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H18F2N2/c23-18-12-7-13-19(24)17(18)14-20-25-21(15-8-3-1-4-9-15)22(26-20)16-10-5-2-6-11-16/h1-13,21-22H,14H2,(H,25,26)/t21-,22+
InChIKeyKOESBBHVHOPMIQ-SZPZYZBQSA-N
MW348.40 g/mol
LogP4.99
Rot. Bonds4

About (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568336) has the molecular formula C22H18F2N2 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568336
Molecular FormulaC22H18F2N2
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(F)c1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H18F2N2/c23-18-12-7-13-19(24)17(18)14-20-25-21(15-8-3-1-4-9-15)22(26-20)16-10-5-2-6-11-16/h1-13,21-22H,14H2,(H,25,26)/t21-,22+
InChIKeyKOESBBHVHOPMIQ-SZPZYZBQSA-N
XLogP4.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568336) is (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(F)c1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is KOESBBHVHOPMIQ-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H18F2N2/c23-18-12-7-13-19(24)17(18)14-20-25-21(15-8-3-1-4-9-15)22(26-20)16-10-5-2-6-11-16/h1-13,21-22H,14H2,(H,25,26)/t21-,22+.
What are the key properties of (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 348.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).