7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C11H13N3OS — CID 67937865

IUPAC7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCSC1Nc2cc3c(cc2N1)C(C)C(=O)N3
InChIInChI=1S/C11H13N3OS/c1-5-6-3-8-9(14-11(13-8)16-2)4-7(6)12-10(5)15/h3-5,11,13-14H,1-2H3,(H,12,15)
InChIKeyOFMNBCZRSBFTJA-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.23
Rot. Bonds1

About 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 67937865) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID67937865
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCSC1Nc2cc3c(cc2N1)C(C)C(=O)N3
InChIInChI=1S/C11H13N3OS/c1-5-6-3-8-9(14-11(13-8)16-2)4-7(6)12-10(5)15/h3-5,11,13-14H,1-2H3,(H,12,15)
InChIKeyOFMNBCZRSBFTJA-UHFFFAOYSA-N
XLogP2.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 67937865) is 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CSC1Nc2cc3c(cc2N1)C(C)C(=O)N3.
What is the InChIKey of 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is OFMNBCZRSBFTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-5-6-3-8-9(14-11(13-8)16-2)4-7(6)12-10(5)15/h3-5,11,13-14H,1-2H3,(H,12,15).
What are the key properties of 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 235.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 67937865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).