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

C22H18ClFN2 — CID 68566916

IUPAC(4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H18ClFN2/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+
InChIKeyPIIGWEDKWGSUNQ-SZPZYZBQSA-N
MW364.85 g/mol
LogP5.51
Rot. Bonds4

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

(4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68566916) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68566916
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name(4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H18ClFN2/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+
InChIKeyPIIGWEDKWGSUNQ-SZPZYZBQSA-N
XLogP5.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68566916) is (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is PIIGWEDKWGSUNQ-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H18ClFN2/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 (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 364.85 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).