(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H19ClN2 — CID 11256503

IUPAC(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19ClN2/c23-19-13-7-8-16(14-19)15-20-24-21(17-9-3-1-4-10-17)22(25-20)18-11-5-2-6-12-18/h1-14,21-22H,15H2,(H,24,25)/t21-,22+
InChIKeyNZYOALOBSMXQRZ-SZPZYZBQSA-N
MW346.86 g/mol
LogP5.37
Rot. Bonds4

About (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11256503) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11256503
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19ClN2/c23-19-13-7-8-16(14-19)15-20-24-21(17-9-3-1-4-10-17)22(25-20)18-11-5-2-6-12-18/h1-14,21-22H,15H2,(H,24,25)/t21-,22+
InChIKeyNZYOALOBSMXQRZ-SZPZYZBQSA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11256503) is (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Clc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is NZYOALOBSMXQRZ-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H19ClN2/c23-19-13-7-8-16(14-19)15-20-24-21(17-9-3-1-4-10-17)22(25-20)18-11-5-2-6-12-18/h1-14,21-22H,15H2,(H,24,25)/t21-,22+.
What are the key properties of (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 346.86 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11256503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).