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

C21H24N2O4 — CID 1124736

IUPAC[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
SMILESCOc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-14(24)27-23-20(16-11-12-17(25-4)18(13-16)26-5)22-19(21(23,2)3)15-9-7-6-8-10-15/h6-13,20H,1-5H3/t20-/m0/s1
InChIKeyACOUXTNDPMCMPL-FQEVSTJZSA-N
MW368.43 g/mol
LogP3.76
Rot. Bonds5

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

[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate (PubChem CID 1124736) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate.

Molecular Properties

Compound Name[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
PubChem CID1124736
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
SMILESCOc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-14(24)27-23-20(16-11-12-17(25-4)18(13-16)26-5)22-19(21(23,2)3)15-9-7-6-8-10-15/h6-13,20H,1-5H3/t20-/m0/s1
InChIKeyACOUXTNDPMCMPL-FQEVSTJZSA-N
XLogP3.76
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol
CID 831300
(2S)-1-hydroxy-2-(4-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 781273
1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 2842353
(2S,5S,6S)-2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 100888123
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
2-chloro-1-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 66488358
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
[(3R)-3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 41068474
[2-methoxy-5-[(2S)-7-oxo-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-2-yl]phenyl] acetate
CID 171987194
1-[(3R)-3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 1145843
2-(1-benzoylpiperidin-4-yl)-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 46205949
ethyl 7-(3,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135548923

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The IUPAC name of [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate (CID 1124736) is [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate.
What is the SMILES notation for [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The canonical SMILES for [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate is COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC.
What is the InChIKey of [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The InChIKey is ACOUXTNDPMCMPL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(24)27-23-20(16-11-12-17(25-4)18(13-16)26-5)22-19(21(23,2)3)15-9-7-6-8-10-15/h6-13,20H,1-5H3/t20-/m0/s1.
What are the key properties of [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate has a molecular weight of 368.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate is sourced from PubChem (CID 1124736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).