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

C23H21ClN2 — CID 68568664

IUPAC(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CCC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C23H21ClN2/c24-20-14-8-7-9-17(20)15-16-21-25-22(18-10-3-1-4-11-18)23(26-21)19-12-5-2-6-13-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+
InChIKeyUWISIWUQNXSVKZ-ZRZAMGCNSA-N
MW360.89 g/mol
LogP5.76
Rot. Bonds5

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

(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568664) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568664
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CCC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C23H21ClN2/c24-20-14-8-7-9-17(20)15-16-21-25-22(18-10-3-1-4-11-18)23(26-21)19-12-5-2-6-13-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+
InChIKeyUWISIWUQNXSVKZ-ZRZAMGCNSA-N
XLogP5.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.76
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-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568664) is (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Clc1ccccc1CCC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is UWISIWUQNXSVKZ-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H21ClN2/c24-20-14-8-7-9-17(20)15-16-21-25-22(18-10-3-1-4-11-18)23(26-21)19-12-5-2-6-13-19/h1-14,22-23H,15-16H2,(H,25,26)/t22-,23+.
What are the key properties of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 360.89 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).