N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

C24H22FN3O4S — CID 90061724

IUPACN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2nc(-c3csc4c(F)cccc34)c(C)n2C)cc1OC
InChIInChI=1S/C24H22FN3O4S/c1-13-21(16-12-33-22-15(16)6-5-7-17(22)25)27-23(28(13)2)18(29)11-26-24(30)14-8-9-19(31-3)20(10-14)32-4/h5-10,12H,11H2,1-4H3,(H,26,30)
InChIKeyIMAHVBIXSCDPSH-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90061724) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90061724
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2nc(-c3csc4c(F)cccc34)c(C)n2C)cc1OC
InChIInChI=1S/C24H22FN3O4S/c1-13-21(16-12-33-22-15(16)6-5-7-17(22)25)27-23(28(13)2)18(29)11-26-24(30)14-8-9-19(31-3)20(10-14)32-4/h5-10,12H,11H2,1-4H3,(H,26,30)
InChIKeyIMAHVBIXSCDPSH-UHFFFAOYSA-N
XLogP4.38
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90061724) is N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)c2nc(-c3csc4c(F)cccc34)c(C)n2C)cc1OC.
What is the InChIKey of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is IMAHVBIXSCDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-13-21(16-12-33-22-15(16)6-5-7-17(22)25)27-23(28(13)2)18(29)11-26-24(30)14-8-9-19(31-3)20(10-14)32-4/h5-10,12H,11H2,1-4H3,(H,26,30).
What are the key properties of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 467.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).