2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H20N4O3S — CID 7545139

IUPAC2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(13-22-14-20-17-8-1-2-9-18(17)22)21-15-6-5-7-16(12-15)27(25,26)23-10-3-4-11-23/h1-2,5-9,12,14H,3-4,10-11,13H2,(H,21,24)
InChIKeySPDPQIPTTVUMBB-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.46
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 7545139) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID7545139
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(13-22-14-20-17-8-1-2-9-18(17)22)21-15-6-5-7-16(12-15)27(25,26)23-10-3-4-11-23/h1-2,5-9,12,14H,3-4,10-11,13H2,(H,21,24)
InChIKeySPDPQIPTTVUMBB-UHFFFAOYSA-N
XLogP2.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 7545139) is 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SPDPQIPTTVUMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(13-22-14-20-17-8-1-2-9-18(17)22)21-15-6-5-7-16(12-15)27(25,26)23-10-3-4-11-23/h1-2,5-9,12,14H,3-4,10-11,13H2,(H,21,24).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 7545139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).