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

C23H21ClN2 — CID 68566282

IUPAC2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2/c1-16(17-12-14-20(24)15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-16,21-22H,1H3,(H,25,26)
InChIKeyDXHGAORJIQKHAF-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.93
Rot. Bonds4

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

2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68566282) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68566282
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2/c1-16(17-12-14-20(24)15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-16,21-22H,1H3,(H,25,26)
InChIKeyDXHGAORJIQKHAF-UHFFFAOYSA-N
XLogP5.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68566282) is 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is CC(C1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is DXHGAORJIQKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-16(17-12-14-20(24)15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-16,21-22H,1H3,(H,25,26).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 360.89 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68566282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).