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

C24H18FN3O2S — CID 16562645

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)sc2cccc(F)c12
InChIInChI=1S/C24H18FN3O2S/c1-30-13-16-21-17(25)5-4-8-20(21)31-22(16)24(29)26-15-11-9-14(10-12-15)23-27-18-6-2-3-7-19(18)28-23/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyFWPBLUPXNSEUJE-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.98
Rot. Bonds5

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 16562645) has the molecular formula C24H18FN3O2S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID16562645
Molecular FormulaC24H18FN3O2S
Molecular Weight431.49 g/mol
Exact Mass431.11
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)sc2cccc(F)c12
InChIInChI=1S/C24H18FN3O2S/c1-30-13-16-21-17(25)5-4-8-20(21)31-22(16)24(29)26-15-11-9-14(10-12-15)23-27-18-6-2-3-7-19(18)28-23/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyFWPBLUPXNSEUJE-UHFFFAOYSA-N
XLogP5.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 16562645) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)sc2cccc(F)c12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FWPBLUPXNSEUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S/c1-30-13-16-21-17(25)5-4-8-20(21)31-22(16)24(29)26-15-11-9-14(10-12-15)23-27-18-6-2-3-7-19(18)28-23/h2-12H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).