1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole

C15H12Cl2N2S — CID 804558

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2S/c1-20-15-18-13-7-2-3-8-14(13)19(15)9-10-11(16)5-4-6-12(10)17/h2-8H,9H2,1H3
InChIKeyUZIBNSRUALWDQE-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.11
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole

1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole (PubChem CID 804558) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
PubChem CID804558
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2S/c1-20-15-18-13-7-2-3-8-14(13)19(15)9-10-11(16)5-4-6-12(10)17/h2-8H,9H2,1H3
InChIKeyUZIBNSRUALWDQE-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
3-(2,6-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propanenitrile
CID 170856786
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
3-chloro-2-[(2-ethylbenzimidazol-1-yl)methyl]aniline
CID 63745945

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole (CID 804558) is 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole is CSc1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The InChIKey is UZIBNSRUALWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-20-15-18-13-7-2-3-8-14(13)19(15)9-10-11(16)5-4-6-12(10)17/h2-8H,9H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole has a molecular weight of 323.25 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 804558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).