1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole

C12H13FN2S — CID 138649034

IUPAC1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole
SMILESCSc1cc(F)c2nc(C)n(C3CC3)c2c1
InChIInChI=1S/C12H13FN2S/c1-7-14-12-10(13)5-9(16-2)6-11(12)15(7)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyLPXRSQFBZGNTBR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.54
Rot. Bonds2

About 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole

1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole (PubChem CID 138649034) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole
PubChem CID138649034
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole
SMILESCSc1cc(F)c2nc(C)n(C3CC3)c2c1
InChIInChI=1S/C12H13FN2S/c1-7-14-12-10(13)5-9(16-2)6-11(12)15(7)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyLPXRSQFBZGNTBR-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 145195941
1-cyclopropyl-4-fluoro-2-(4-methylsulfanylphenyl)-6-piperidin-4-ylbenzimidazole
CID 166980733
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole
CID 56645365
CID 167500870
CID 167500870
4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
CID 84786770
3-cyclobutyl-7-fluoro-2-methylbenzimidazole-5-carbonitrile;5,5-dimethylhexan-3-one;ethane
CID 153345418
4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine
CID 130197124
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
CID 162380804

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole?
The IUPAC name of 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole (CID 138649034) is 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole is CSc1cc(F)c2nc(C)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole?
The InChIKey is LPXRSQFBZGNTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-7-14-12-10(13)5-9(16-2)6-11(12)15(7)8-3-4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole?
1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole has a molecular weight of 236.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole is sourced from PubChem (CID 138649034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).