2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole

C20H16N2OS — CID 168555497

IUPAC2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole
SMILESCS(=O)c1ccccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N2OS/c1-24(23)19-9-5-2-6-16(19)14-10-12-15(13-11-14)20-21-17-7-3-4-8-18(17)22-20/h2-13H,1H3,(H,21,22)
InChIKeyPEELYRFRDYAVCK-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.63
Rot. Bonds3

About 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole

2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole (PubChem CID 168555497) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole
PubChem CID168555497
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole
SMILESCS(=O)c1ccccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N2OS/c1-24(23)19-9-5-2-6-16(19)14-10-12-15(13-11-14)20-21-17-7-3-4-8-18(17)22-20/h2-13H,1H3,(H,21,22)
InChIKeyPEELYRFRDYAVCK-UHFFFAOYSA-N
XLogP4.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
CID 168555272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole (CID 168555497) is 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole is CS(=O)c1ccccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole?
The InChIKey is PEELYRFRDYAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-24(23)19-9-5-2-6-16(19)14-10-12-15(13-11-14)20-21-17-7-3-4-8-18(17)22-20/h2-13H,1H3,(H,21,22).
What are the key properties of 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole?
2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole has a molecular weight of 332.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).