2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one

C17H15ClN2O — CID 153197655

IUPAC2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CN=C1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-12(13-5-3-2-4-6-13)20-16(21)11-19-17(20)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyWJHGTAHAMDETSZ-LBPRGKRZSA-N
MW298.77 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one

2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one (PubChem CID 153197655) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
PubChem CID153197655
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CN=C1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-12(13-5-3-2-4-6-13)20-16(21)11-19-17(20)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyWJHGTAHAMDETSZ-LBPRGKRZSA-N
XLogP3.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one (CID 153197655) is 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one is C[C@@H](c1ccccc1)N1C(=O)CN=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one?
The InChIKey is WJHGTAHAMDETSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12(13-5-3-2-4-6-13)20-16(21)11-19-17(20)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one?
2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one has a molecular weight of 298.77 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one is sourced from PubChem (CID 153197655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).