2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole

C13H11ClN4OS — CID 62482154

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Sc3cc(Cl)nc(C)n3)[nH]c2c1
InChIInChI=1S/C13H11ClN4OS/c1-7-15-11(14)6-12(16-7)20-13-17-9-4-3-8(19-2)5-10(9)18-13/h3-6H,1-2H3,(H,17,18)
InChIKeyZACONZUHDARYPT-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.47
Rot. Bonds3

About 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole (PubChem CID 62482154) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
PubChem CID62482154
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Sc3cc(Cl)nc(C)n3)[nH]c2c1
InChIInChI=1S/C13H11ClN4OS/c1-7-15-11(14)6-12(16-7)20-13-17-9-4-3-8(19-2)5-10(9)18-13/h3-6H,1-2H3,(H,17,18)
InChIKeyZACONZUHDARYPT-UHFFFAOYSA-N
XLogP3.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-6-methylpyrimidine-4-carbonitrile
CID 107551332

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole (CID 62482154) is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is COc1ccc2nc(Sc3cc(Cl)nc(C)n3)[nH]c2c1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The InChIKey is ZACONZUHDARYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-7-15-11(14)6-12(16-7)20-13-17-9-4-3-8(19-2)5-10(9)18-13/h3-6H,1-2H3,(H,17,18).
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole has a molecular weight of 306.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 62482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).