(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide

C19H22N4O2S — CID 95717622

IUPAC(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide
SMILESCc1cccc2[nH]c([C@H]3CCCN3S(=O)(=O)NCc3ccccc3)nc12
InChIInChI=1S/C19H22N4O2S/c1-14-7-5-10-16-18(14)22-19(21-16)17-11-6-12-23(17)26(24,25)20-13-15-8-3-2-4-9-15/h2-5,7-10,17,20H,6,11-13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXIUBKHRMZRQKQO-QGZVFWFLSA-N
MW370.48 g/mol
LogP3.04
Rot. Bonds5

About (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide

(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 95717622) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide
PubChem CID95717622
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide
SMILESCc1cccc2[nH]c([C@H]3CCCN3S(=O)(=O)NCc3ccccc3)nc12
InChIInChI=1S/C19H22N4O2S/c1-14-7-5-10-16-18(14)22-19(21-16)17-11-6-12-23(17)26(24,25)20-13-15-8-3-2-4-9-15/h2-5,7-10,17,20H,6,11-13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXIUBKHRMZRQKQO-QGZVFWFLSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide (CID 95717622) is (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide is Cc1cccc2[nH]c([C@H]3CCCN3S(=O)(=O)NCc3ccccc3)nc12.
What is the InChIKey of (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is XIUBKHRMZRQKQO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-7-5-10-16-18(14)22-19(21-16)17-11-6-12-23(17)26(24,25)20-13-15-8-3-2-4-9-15/h2-5,7-10,17,20H,6,11-13H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide?
(2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95717622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).