4-fluoro-2-(thian-2-yl)-1H-benzimidazole

C12H13FN2S — CID 80596390

IUPAC4-fluoro-2-(thian-2-yl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3CCCCS3)nc12
InChIInChI=1S/C12H13FN2S/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7H2,(H,14,15)
InChIKeyNWIJVAPQZRDKCP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.66
Rot. Bonds1

About 4-fluoro-2-(thian-2-yl)-1H-benzimidazole

4-fluoro-2-(thian-2-yl)-1H-benzimidazole (PubChem CID 80596390) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-fluoro-2-(thian-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(thian-2-yl)-1H-benzimidazole
PubChem CID80596390
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name4-fluoro-2-(thian-2-yl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3CCCCS3)nc12
InChIInChI=1S/C12H13FN2S/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7H2,(H,14,15)
InChIKeyNWIJVAPQZRDKCP-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole
CID 106893168
3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66030987
5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
CID 79630755
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923
5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80620344
3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 60783990
(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine
CID 171359733
2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80621116
4-fluoro-3-(thian-2-yl)-1H-benzimidazol-2-one
CID 117208788
1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 61289877
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(thian-2-yl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(thian-2-yl)-1H-benzimidazole (CID 80596390) is 4-fluoro-2-(thian-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(thian-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(thian-2-yl)-1H-benzimidazole is Fc1cccc2[nH]c(C3CCCCS3)nc12.
What is the InChIKey of 4-fluoro-2-(thian-2-yl)-1H-benzimidazole?
The InChIKey is NWIJVAPQZRDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-8-4-3-5-9-11(8)15-12(14-9)10-6-1-2-7-16-10/h3-5,10H,1-2,6-7H2,(H,14,15).
What are the key properties of 4-fluoro-2-(thian-2-yl)-1H-benzimidazole?
4-fluoro-2-(thian-2-yl)-1H-benzimidazole has a molecular weight of 236.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(thian-2-yl)-1H-benzimidazole is sourced from PubChem (CID 80596390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).