1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole

C30H25ClN2 — CID 123275612

IUPAC1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole
SMILESClC[C@H](Cc1ccccc1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H25ClN2/c31-22-27(21-23-13-5-1-6-14-23)33-29(25-17-9-3-10-18-25)28(24-15-7-2-8-16-24)32-30(33)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-/m0/s1
InChIKeyCMYGITGJZRUEFF-MHZLTWQESA-N
MW449.00 g/mol
LogP7.91
Rot. Bonds7

About 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole

1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole (PubChem CID 123275612) has the molecular formula C30H25ClN2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole
PubChem CID123275612
Molecular FormulaC30H25ClN2
Molecular Weight449.00 g/mol
Exact Mass448.17
IUPAC Name1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole
SMILESClC[C@H](Cc1ccccc1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H25ClN2/c31-22-27(21-23-13-5-1-6-14-23)33-29(25-17-9-3-10-18-25)28(24-15-7-2-8-16-24)32-30(33)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-/m0/s1
InChIKeyCMYGITGJZRUEFF-MHZLTWQESA-N
XLogP7.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole
CID 139086250
1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
CID 139218774
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1-tert-butyl-2,4,5-triphenylimidazole
CID 142519119
5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole
CID 142650495
2-(2-chlorophenyl)-1-[1-(2-chlorophenyl)ethyl]-4,5-diphenylimidazole
CID 142084638
5-[1-(2,4,5-triphenylimidazol-1-yl)heptyl]-2H-tetrazole
CID 142650496
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole?
The IUPAC name of 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole (CID 123275612) is 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole?
The canonical SMILES for 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole is ClC[C@H](Cc1ccccc1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole?
The InChIKey is CMYGITGJZRUEFF-MHZLTWQESA-N. The full InChI is InChI=1S/C30H25ClN2/c31-22-27(21-23-13-5-1-6-14-23)33-29(25-17-9-3-10-18-25)28(24-15-7-2-8-16-24)32-30(33)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-/m0/s1.
What are the key properties of 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole?
1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole has a molecular weight of 449.00 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole is sourced from PubChem (CID 123275612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).