N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

C16H9ClFN3OS — CID 8001748

IUPACN-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H9ClFN3OS/c17-13-9-6-5-8(18)7-12(9)23-14(13)15(22)21-16-19-10-3-1-2-4-11(10)20-16/h1-7H,(H2,19,20,21,22)
InChIKeyICGOJHPCMCSUGM-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.82
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 8001748) has the molecular formula C16H9ClFN3OS and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID8001748
Molecular FormulaC16H9ClFN3OS
Molecular Weight345.79 g/mol
Exact Mass345.01
IUPAC NameN-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H9ClFN3OS/c17-13-9-6-5-8(18)7-12(9)23-14(13)15(22)21-16-19-10-3-1-2-4-11(10)20-16/h1-7H,(H2,19,20,21,22)
InChIKeyICGOJHPCMCSUGM-UHFFFAOYSA-N
XLogP4.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 83097169
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259
3-chloro-6-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110036
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CID 8001748) is N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is ICGOJHPCMCSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3OS/c17-13-9-6-5-8(18)7-12(9)23-14(13)15(22)21-16-19-10-3-1-2-4-11(10)20-16/h1-7H,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).