5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one

C22H24N2O4 — CID 58386976

IUPAC5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one
SMILESCc1cnc(C(=O)Cc2ccc(C3COC(=O)OC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H24N2O4/c1-14-11-23-21(24-14)20(25)10-17-8-7-16(18-12-27-22(26)28-13-18)9-19(17)15-5-3-2-4-6-15/h5,7-9,11,18H,2-4,6,10,12-13H2,1H3,(H,23,24)
InChIKeyMWFBYLZIPSGFQD-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.35
Rot. Bonds5

About 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one

5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one (PubChem CID 58386976) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one
PubChem CID58386976
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one
SMILESCc1cnc(C(=O)Cc2ccc(C3COC(=O)OC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H24N2O4/c1-14-11-23-21(24-14)20(25)10-17-8-7-16(18-12-27-22(26)28-13-18)9-19(17)15-5-3-2-4-6-15/h5,7-9,11,18H,2-4,6,10,12-13H2,1H3,(H,23,24)
InChIKeyMWFBYLZIPSGFQD-UHFFFAOYSA-N
XLogP4.35
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]ethyl]phenyl]-2-methylpropanoate
CID 155519753
2-[2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]acetyl]-1H-imidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 160859711
ethyl 2-(2-butylphenyl)-2-(5-formyl-1H-imidazol-2-yl)acetate
CID 57218269
5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-diazinan-2-one
CID 58386905
2-[2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
CID 58386917
[3-Acetyloxy-2-[4-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propyl] acetate
CID 58386920
5-[3-(cyclohepten-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dimethyl-1,3-diazinan-2-one
CID 58386944
Methyl 2-[4-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoate
CID 58386958
2-[2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
CID 58386962
2-[2-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-dioxan-5-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
CID 58386993
methyl 2-[4-[2-(5-cyano-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoate
CID 58387013
N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-dioxan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 59771244

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one?
The IUPAC name of 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one (CID 58386976) is 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one.
What is the SMILES notation for 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one?
The canonical SMILES for 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one is Cc1cnc(C(=O)Cc2ccc(C3COC(=O)OC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one?
The InChIKey is MWFBYLZIPSGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-11-23-21(24-14)20(25)10-17-8-7-16(18-12-27-22(26)28-13-18)9-19(17)15-5-3-2-4-6-15/h5,7-9,11,18H,2-4,6,10,12-13H2,1H3,(H,23,24).
What are the key properties of 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one?
5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one has a molecular weight of 380.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-dioxan-2-one is sourced from PubChem (CID 58386976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).