2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole

C19H13ClN2OS — CID 68842813

IUPAC2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
SMILESO=S(c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H13ClN2OS/c20-14-7-11-16(12-8-14)24(23)15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)22-19/h1-12H,(H,21,22)
InChIKeyGEMPIBATGPLLOI-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.05
Rot. Bonds3

About 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole

2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole (PubChem CID 68842813) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
PubChem CID68842813
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
SMILESO=S(c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H13ClN2OS/c20-14-7-11-16(12-8-14)24(23)15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)22-19/h1-12H,(H,21,22)
InChIKeyGEMPIBATGPLLOI-UHFFFAOYSA-N
XLogP5.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone
CID 59165209
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-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole
CID 168555497
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole (CID 68842813) is 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole is O=S(c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole?
The InChIKey is GEMPIBATGPLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c20-14-7-11-16(12-8-14)24(23)15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)22-19/h1-12H,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole?
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole has a molecular weight of 352.85 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole is sourced from PubChem (CID 68842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).