2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole

C20H14Cl2N2S — CID 4257609

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole
SMILESClc1ccc(CSc2nc3ccccc3n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N2S/c21-15-11-10-14(17(22)12-15)13-25-20-23-18-8-4-5-9-19(18)24(20)16-6-2-1-3-7-16/h1-12H,13H2
InChIKeyZLEYUCSADIKOJW-UHFFFAOYSA-N
MW385.32 g/mol
LogP6.62
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole

2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole (PubChem CID 4257609) has the molecular formula C20H14Cl2N2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole
PubChem CID4257609
Molecular FormulaC20H14Cl2N2S
Molecular Weight385.32 g/mol
Exact Mass384.03
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole
SMILESClc1ccc(CSc2nc3ccccc3n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N2S/c21-15-11-10-14(17(22)12-15)13-25-20-23-18-8-4-5-9-19(18)24(20)16-6-2-1-3-7-16/h1-12H,13H2
InChIKeyZLEYUCSADIKOJW-UHFFFAOYSA-N
XLogP6.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.32
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1-phenylbenzimidazole
CID 3652950
3-benzyl-4-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole
CID 126114630
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole;hydrochloride
CID 163329785
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole
CID 614420
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazole
CID 43867039
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazole
CID 43869385
N-[2-(4-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-6-methylbenzimidazole
CID 143210390
N-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-(trifluoromethyl)aniline
CID 3135893
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole (CID 4257609) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole is Clc1ccc(CSc2nc3ccccc3n2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole?
The InChIKey is ZLEYUCSADIKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2S/c21-15-11-10-14(17(22)12-15)13-25-20-23-18-8-4-5-9-19(18)24(20)16-6-2-1-3-7-16/h1-12H,13H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole?
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole has a molecular weight of 385.32 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenylbenzimidazole is sourced from PubChem (CID 4257609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).