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

C16H22N2O — CID 164678945

IUPAC1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone
SMILESCC(=O)N1C(C)=N[C@](C)(c2ccccc2)[C@H]1C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)15-16(5,14-9-7-6-8-10-14)17-12(3)18(15)13(4)19/h6-11,15H,1-5H3/t15-,16-/m1/s1
InChIKeyNXPQPIIIKRVXJC-HZPDHXFCSA-N
MW258.37 g/mol
LogP3.21
Rot. Bonds2

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

1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone (PubChem CID 164678945) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone
PubChem CID164678945
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone
SMILESCC(=O)N1C(C)=N[C@](C)(c2ccccc2)[C@H]1C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)15-16(5,14-9-7-6-8-10-14)17-12(3)18(15)13(4)19/h6-11,15H,1-5H3/t15-,16-/m1/s1
InChIKeyNXPQPIIIKRVXJC-HZPDHXFCSA-N
XLogP3.21
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
CID 164677804
1-(3-methyl-2-phenylazirin-2-yl)ethanone
CID 101479142
(4S)-3-acetyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159791502
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpropan-1-one
CID 101435614
(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10832063
3-[(E)-3-nitroprop-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102166389
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114
(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde
CID 175239945
1-[(9S)-7-acetyl-9-hydroxy-1-methyl-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 40635155
3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one
CID 21306638

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone?
The IUPAC name of 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone (CID 164678945) is 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone.
What is the SMILES notation for 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone?
The canonical SMILES for 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone is CC(=O)N1C(C)=N[C@](C)(c2ccccc2)[C@H]1C(C)C.
What is the InChIKey of 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone?
The InChIKey is NXPQPIIIKRVXJC-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)15-16(5,14-9-7-6-8-10-14)17-12(3)18(15)13(4)19/h6-11,15H,1-5H3/t15-,16-/m1/s1.
What are the key properties of 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone?
1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone has a molecular weight of 258.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-2,5-dimethyl-5-phenyl-4-propan-2-yl-4H-imidazol-3-yl]ethanone is sourced from PubChem (CID 164678945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).