N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C20H18FN3O2S — CID 17492504

IUPACN-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCCn1c(NC(=O)c2sc3cccc(F)c3c2COC)nc2ccccc21
InChIInChI=1S/C20H18FN3O2S/c1-3-24-15-9-5-4-8-14(15)22-20(24)23-19(25)18-12(11-26-2)17-13(21)7-6-10-16(17)27-18/h4-10H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyZOASNARIAMOQHL-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.81
Rot. Bonds5

About N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 17492504) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID17492504
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCCn1c(NC(=O)c2sc3cccc(F)c3c2COC)nc2ccccc21
InChIInChI=1S/C20H18FN3O2S/c1-3-24-15-9-5-4-8-14(15)22-20(24)23-19(25)18-12(11-26-2)17-13(21)7-6-10-16(17)27-18/h4-10H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyZOASNARIAMOQHL-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 17492504) is N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is CCn1c(NC(=O)c2sc3cccc(F)c3c2COC)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ZOASNARIAMOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-3-24-15-9-5-4-8-14(15)22-20(24)23-19(25)18-12(11-26-2)17-13(21)7-6-10-16(17)27-18/h4-10H,3,11H2,1-2H3,(H,22,23,25).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).