5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one

C20H18Cl2N2O3 — CID 70515965

IUPAC5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one
SMILESCCC1c2cc(OCC(=O)n3ccnc3)c(Cl)c(Cl)c2C2=CC(=O)CCC21
InChIInChI=1S/C20H18Cl2N2O3/c1-2-12-13-4-3-11(25)7-14(13)18-15(12)8-16(19(21)20(18)22)27-9-17(26)24-6-5-23-10-24/h5-8,10,12-13H,2-4,9H2,1H3
InChIKeyGPAQCTYRICGQCU-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.78
Rot. Bonds4

About 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one

5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one (PubChem CID 70515965) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one.

Molecular Properties

Compound Name5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one
PubChem CID70515965
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one
SMILESCCC1c2cc(OCC(=O)n3ccnc3)c(Cl)c(Cl)c2C2=CC(=O)CCC21
InChIInChI=1S/C20H18Cl2N2O3/c1-2-12-13-4-3-11(25)7-14(13)18-15(12)8-16(19(21)20(18)22)27-9-17(26)24-6-5-23-10-24/h5-8,10,12-13H,2-4,9H2,1H3
InChIKeyGPAQCTYRICGQCU-UHFFFAOYSA-N
XLogP4.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one with MolForge

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Related Compounds

5,6-dichloro-9a-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-2,9-dihydro-1H-fluoren-3-one;2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetic acid
CID 70554953
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
CID 53215757
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one
CID 19838407
2-[[(8aR)-3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 12806940
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one
CID 10362254
4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
CID 82116358
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one?
The IUPAC name of 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one (CID 70515965) is 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one.
What is the SMILES notation for 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one?
The canonical SMILES for 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one is CCC1c2cc(OCC(=O)n3ccnc3)c(Cl)c(Cl)c2C2=CC(=O)CCC21.
What is the InChIKey of 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one?
The InChIKey is GPAQCTYRICGQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-2-12-13-4-3-11(25)7-14(13)18-15(12)8-16(19(21)20(18)22)27-9-17(26)24-6-5-23-10-24/h5-8,10,12-13H,2-4,9H2,1H3.
What are the key properties of 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one?
5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one has a molecular weight of 405.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-9-ethyl-7-(2-imidazol-1-yl-2-oxoethoxy)-1,2,9,9a-tetrahydrofluoren-3-one is sourced from PubChem (CID 70515965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).