2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole

C14H10F2N2S — CID 40739070

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1cccc(CSc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C14H10F2N2S/c15-10-5-3-4-9(13(10)16)8-19-14-17-11-6-1-2-7-12(11)18-14/h1-7H,8H2,(H,17,18)
InChIKeyUEYKJDCRXSEPSE-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.13
Rot. Bonds3

About 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole

2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 40739070) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID40739070
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1cccc(CSc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C14H10F2N2S/c15-10-5-3-4-9(13(10)16)8-19-14-17-11-6-1-2-7-12(11)18-14/h1-7H,8H2,(H,17,18)
InChIKeyUEYKJDCRXSEPSE-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
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CID 75397691
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
CID 708450
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 14064658
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole (CID 40739070) is 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole is Fc1cccc(CSc2nc3ccccc3[nH]2)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is UEYKJDCRXSEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c15-10-5-3-4-9(13(10)16)8-19-14-17-11-6-1-2-7-12(11)18-14/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole?
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 276.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 40739070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).