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

C12H9ClN4OS — CID 78844133

IUPAC6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
SMILESCOc1ccnc(Sc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H9ClN4OS/c1-18-10-4-5-14-11(17-10)19-12-15-8-3-2-7(13)6-9(8)16-12/h2-6H,1H3,(H,15,16)
InChIKeyWSFLGMVHAHLPQW-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.17
Rot. Bonds3

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

6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole (PubChem CID 78844133) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
PubChem CID78844133
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
SMILESCOc1ccnc(Sc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H9ClN4OS/c1-18-10-4-5-14-11(17-10)19-12-15-8-3-2-7(13)6-9(8)16-12/h2-6H,1H3,(H,15,16)
InChIKeyWSFLGMVHAHLPQW-UHFFFAOYSA-N
XLogP3.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
CID 141163646
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645
2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 61371231
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-6-methylpyrimidine-4-carbonitrile
CID 107551332
6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole
CID 133416039
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 22333215
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole (CID 78844133) is 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole is COc1ccnc(Sc2nc3ccc(Cl)cc3[nH]2)n1.
What is the InChIKey of 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The InChIKey is WSFLGMVHAHLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-18-10-4-5-14-11(17-10)19-12-15-8-3-2-7(13)6-9(8)16-12/h2-6H,1H3,(H,15,16).
What are the key properties of 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole?
6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole has a molecular weight of 292.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole is sourced from PubChem (CID 78844133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).