N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C23H20FN3O5S — CID 90061506

IUPACN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cnc(-c3csc4c(F)cccc34)[nH]2)ccc1OCCO
InChIInChI=1S/C23H20FN3O5S/c1-31-20-9-13(5-6-19(20)32-8-7-28)23(30)26-11-18(29)17-10-25-22(27-17)15-12-33-21-14(15)3-2-4-16(21)24/h2-6,9-10,12,28H,7-8,11H2,1H3,(H,25,27)(H,26,30)
InChIKeyKWELIILDNQDMHJ-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.42
Rot. Bonds9

About N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061506) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061506
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cnc(-c3csc4c(F)cccc34)[nH]2)ccc1OCCO
InChIInChI=1S/C23H20FN3O5S/c1-31-20-9-13(5-6-19(20)32-8-7-28)23(30)26-11-18(29)17-10-25-22(27-17)15-12-33-21-14(15)3-2-4-16(21)24/h2-6,9-10,12,28H,7-8,11H2,1H3,(H,25,27)(H,26,30)
InChIKeyKWELIILDNQDMHJ-UHFFFAOYSA-N
XLogP3.42
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Benzo[b]thien-3-yl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 66561435
N-(2-(2-(7-fluorobenzo[b]thiophen-3-yl)pyrimidin-4-yl)-2-hydroxyethyl)-3,4-dimethoxy-benzamide
CID 90044196
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-imidazol-1-ylethoxy)-3-methoxybenzamide
CID 90061578
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061602
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061668
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1-(2-methylpropyl)imidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061675
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)pyrimidin-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 90061702
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061724
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061739
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)pyrimidin-4-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061761
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061790
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061793

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061506) is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2cnc(-c3csc4c(F)cccc34)[nH]2)ccc1OCCO.
What is the InChIKey of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is KWELIILDNQDMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-31-20-9-13(5-6-19(20)32-8-7-28)23(30)26-11-18(29)17-10-25-22(27-17)15-12-33-21-14(15)3-2-4-16(21)24/h2-6,9-10,12,28H,7-8,11H2,1H3,(H,25,27)(H,26,30).
What are the key properties of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 469.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).