1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole

C17H19N3O3S — CID 70715806

IUPAC1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)o1
InChIInChI=1S/C17H19N3O3S/c1-12-5-8-16(23-12)17-18-14-11-13(6-7-15(14)19(17)2)24(21,22)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJLRQPPPEBJPPMX-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.93
Rot. Bonds3

About 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole

1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole (PubChem CID 70715806) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole
PubChem CID70715806
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)o1
InChIInChI=1S/C17H19N3O3S/c1-12-5-8-16(23-12)17-18-14-11-13(6-7-15(14)19(17)2)24(21,22)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJLRQPPPEBJPPMX-UHFFFAOYSA-N
XLogP2.93
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole?
The IUPAC name of 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole (CID 70715806) is 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole.
What is the SMILES notation for 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole?
The canonical SMILES for 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole is Cc1ccc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)o1.
What is the InChIKey of 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole?
The InChIKey is JLRQPPPEBJPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-5-8-16(23-12)17-18-14-11-13(6-7-15(14)19(17)2)24(21,22)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole?
1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole has a molecular weight of 345.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylfuran-2-yl)-5-pyrrolidin-1-ylsulfonylbenzimidazole is sourced from PubChem (CID 70715806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).