2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole

C13H8F2N2S — CID 177375670

IUPAC2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
SMILESFc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H8F2N2S/c14-8-5-9(15)7-10(6-8)18-13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChIKeyMPUPRBIFAIMXHH-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.99
Rot. Bonds2

About 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole

2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole (PubChem CID 177375670) has the molecular formula C13H8F2N2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
PubChem CID177375670
Molecular FormulaC13H8F2N2S
Molecular Weight262.28 g/mol
Exact Mass262.04
IUPAC Name2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
SMILESFc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H8F2N2S/c14-8-5-9(15)7-10(6-8)18-13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChIKeyMPUPRBIFAIMXHH-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
CID 102818646
5-(1H-benzimidazol-2-ylsulfanyl)-3-methylbenzene-1,2-diol
CID 139213863
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole
CID 23735300
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
2-amino-4-(1H-benzimidazol-2-ylsulfanyl)benzenesulfonamide
CID 79466724
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole?
The IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole (CID 177375670) is 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole is Fc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole?
The InChIKey is MPUPRBIFAIMXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2S/c14-8-5-9(15)7-10(6-8)18-13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17).
What are the key properties of 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole?
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole has a molecular weight of 262.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole is sourced from PubChem (CID 177375670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).