ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate

C26H22N2O4 — CID 3271634

IUPACethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-2-30-23(29)16-28-25(19-11-7-4-8-12-19)24(18-9-5-3-6-10-18)27-26(28)20-13-14-21-22(15-20)32-17-31-21/h3-15H,2,16-17H2,1H3
InChIKeySUKQACOQGCOPQD-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.18
Rot. Bonds6

About ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate

ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate (PubChem CID 3271634) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate
PubChem CID3271634
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Nameethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-2-30-23(29)16-28-25(19-11-7-4-8-12-19)24(18-9-5-3-6-10-18)27-26(28)20-13-14-21-22(15-20)32-17-31-21/h3-15H,2,16-17H2,1H3
InChIKeySUKQACOQGCOPQD-UHFFFAOYSA-N
XLogP5.18
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate
CID 4265892
2-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]acetic acid
CID 94748671
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10761728
2-[2-(4-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]acetohydrazide
CID 171053517
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-2,5-diphenylimidazol-4-yl)methyl]methanamine
CID 18437477
2-(1,3-benzodioxol-5-yl)-3-benzyl-N-ethylbenzimidazole-5-carboxamide
CID 101126103
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetate
CID 791345
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
ethyl 2-[9-(1,3-benzodioxol-5-yl)-6-carbamoyl-2-(4-methylphenyl)-8-oxopurin-7-yl]acetate
CID 53088109
ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
CID 54334591
ethyl 2-[2-(4-phenylbenzoyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 40997422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate (CID 3271634) is ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate is CCOC(=O)Cn1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate?
The InChIKey is SUKQACOQGCOPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-2-30-23(29)16-28-25(19-11-7-4-8-12-19)24(18-9-5-3-6-10-18)27-26(28)20-13-14-21-22(15-20)32-17-31-21/h3-15H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate?
ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate has a molecular weight of 426.47 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate is sourced from PubChem (CID 3271634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).