2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H19ClN4O2S — CID 10095315

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27)
InChIKeyZUSXGOOVZNWGPQ-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.25
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 10095315) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID10095315
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27)
InChIKeyZUSXGOOVZNWGPQ-UHFFFAOYSA-N
XLogP5.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 10095315) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is ZUSXGOOVZNWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 450.95 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 10095315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).