6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

C15H14ClN3S — CID 10828316

IUPAC6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H14ClN3S/c1-9-5-10(2)14(17-7-9)8-20-15-18-12-4-3-11(16)6-13(12)19-15/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyQKPYJJFJGLOXTA-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.52
Rot. Bonds3

About 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 10828316) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
PubChem CID10828316
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C15H14ClN3S/c1-9-5-10(2)14(17-7-9)8-20-15-18-12-4-3-11(16)6-13(12)19-15/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyQKPYJJFJGLOXTA-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (CID 10828316) is 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole is Cc1cnc(CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1.
What is the InChIKey of 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is QKPYJJFJGLOXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9-5-10(2)14(17-7-9)8-20-15-18-12-4-3-11(16)6-13(12)19-15/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 303.82 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 10828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).