4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C22H16FN3O3S — CID 55945092

IUPAC4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)sc2cccc(F)c12
InChIInChI=1S/C22H16FN3O3S/c1-28-11-13-19-14(23)4-2-6-18(19)30-20(13)22(27)24-12-7-8-15-16(10-12)26-21(25-15)17-5-3-9-29-17/h2-10H,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyUOIXKHPNZXBZPV-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.58
Rot. Bonds5

About 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 55945092) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID55945092
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)sc2cccc(F)c12
InChIInChI=1S/C22H16FN3O3S/c1-28-11-13-19-14(23)4-2-6-18(19)30-20(13)22(27)24-12-7-8-15-16(10-12)26-21(25-15)17-5-3-9-29-17/h2-10H,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyUOIXKHPNZXBZPV-UHFFFAOYSA-N
XLogP5.58
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 55945092) is 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UOIXKHPNZXBZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c1-28-11-13-19-14(23)4-2-6-18(19)30-20(13)22(27)24-12-7-8-15-16(10-12)26-21(25-15)17-5-3-9-29-17/h2-10H,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).