N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C17H12FN3OS — CID 31618777

IUPACN-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nn2cnc3ccccc32)sc2cccc(F)c12
InChIInChI=1S/C17H12FN3OS/c1-10-15-11(18)5-4-8-14(15)23-16(10)17(22)20-21-9-19-12-6-2-3-7-13(12)21/h2-9H,1H3,(H,20,22)
InChIKeyBRJWOBDUDBKOHI-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.08
Rot. Bonds2

About N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 31618777) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID31618777
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC NameN-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nn2cnc3ccccc32)sc2cccc(F)c12
InChIInChI=1S/C17H12FN3OS/c1-10-15-11(18)5-4-8-14(15)23-16(10)17(22)20-21-9-19-12-6-2-3-7-13(12)21/h2-9H,1H3,(H,20,22)
InChIKeyBRJWOBDUDBKOHI-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 31618777) is N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nn2cnc3ccccc32)sc2cccc(F)c12.
What is the InChIKey of N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is BRJWOBDUDBKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c1-10-15-11(18)5-4-8-14(15)23-16(10)17(22)20-21-9-19-12-6-2-3-7-13(12)21/h2-9H,1H3,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31618777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).