1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone

C13H16N2O — CID 164677804

IUPAC1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
SMILESCC(=O)N1C[C@](C)(c2ccccc2)N=C1C
InChIInChI=1S/C13H16N2O/c1-10-14-13(3,9-15(10)11(2)16)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/t13-/m1/s1
InChIKeyXHMNAUABMYJCPN-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds1

About 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone

1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone (PubChem CID 164677804) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
PubChem CID164677804
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
SMILESCC(=O)N1C[C@](C)(c2ccccc2)N=C1C
InChIInChI=1S/C13H16N2O/c1-10-14-13(3,9-15(10)11(2)16)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/t13-/m1/s1
InChIKeyXHMNAUABMYJCPN-CYBMUJFWSA-N
XLogP2.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone?
The IUPAC name of 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone (CID 164677804) is 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone.
What is the SMILES notation for 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone?
The canonical SMILES for 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone is CC(=O)N1C[C@](C)(c2ccccc2)N=C1C.
What is the InChIKey of 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone?
The InChIKey is XHMNAUABMYJCPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-14-13(3,9-15(10)11(2)16)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone?
1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone is sourced from PubChem (CID 164677804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).