2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole

C15H8F2N2S — CID 115911897

IUPAC2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3csc4ccccc34)nc2c1F
InChIInChI=1S/C15H8F2N2S/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-7H,(H,18,19)
InChIKeyRYXUXJXQEIDFRP-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.72
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole

2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911897) has the molecular formula C15H8F2N2S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911897
Molecular FormulaC15H8F2N2S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3csc4ccccc34)nc2c1F
InChIInChI=1S/C15H8F2N2S/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-7H,(H,18,19)
InChIKeyRYXUXJXQEIDFRP-UHFFFAOYSA-N
XLogP4.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
CID 136926473
2-(1-benzothiophen-3-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550933
CID 146598306
CID 146598306
3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one
CID 136966594
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(1-benzothiophen-3-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66311722
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63613129
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole (CID 115911897) is 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(-c3csc4ccccc34)nc2c1F.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is RYXUXJXQEIDFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2S/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-7H,(H,18,19).
What are the key properties of 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole?
2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 286.31 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).