2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole

C15H13ClN2S — CID 673922

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole
SMILESCn1c(SCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H13ClN2S/c1-18-14-9-5-4-8-13(14)17-15(18)19-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyNVYGKARQHVSBCW-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.52
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole

2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole (PubChem CID 673922) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole
PubChem CID673922
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole
SMILESCn1c(SCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H13ClN2S/c1-18-14-9-5-4-8-13(14)17-15(18)19-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyNVYGKARQHVSBCW-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole (CID 673922) is 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole is Cn1c(SCc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole?
The InChIKey is NVYGKARQHVSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-18-14-9-5-4-8-13(14)17-15(18)19-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole?
2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole has a molecular weight of 288.80 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-methylbenzimidazole is sourced from PubChem (CID 673922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).