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

C25H23ClN4O2S — CID 10345022

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H23ClN4O2S/c26-22-11-10-21(33-22)25-28-19-9-6-17(13-20(19)29-25)14-23(31)27-15-16-4-7-18(8-5-16)30-12-2-1-3-24(30)32/h4-11,13H,1-3,12,14-15H2,(H,27,31)(H,28,29)
InChIKeyRDEJTJDJEFIYSM-UHFFFAOYSA-N
MW479.01 g/mol
LogP5.32
Rot. Bonds6

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

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide (PubChem CID 10345022) has the molecular formula C25H23ClN4O2S and a molecular weight of 479.01 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
PubChem CID10345022
Molecular FormulaC25H23ClN4O2S
Molecular Weight479.01 g/mol
Exact Mass478.12
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H23ClN4O2S/c26-22-11-10-21(33-22)25-28-19-9-6-17(13-20(19)29-25)14-23(31)27-15-16-4-7-18(8-5-16)30-12-2-1-3-24(30)32/h4-11,13H,1-3,12,14-15H2,(H,27,31)(H,28,29)
InChIKeyRDEJTJDJEFIYSM-UHFFFAOYSA-N
XLogP5.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 55.32
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-oxopiperidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide (CID 10345022) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is RDEJTJDJEFIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2S/c26-22-11-10-21(33-22)25-28-19-9-6-17(13-20(19)29-25)14-23(31)27-15-16-4-7-18(8-5-16)30-12-2-1-3-24(30)32/h4-11,13H,1-3,12,14-15H2,(H,27,31)(H,28,29).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 479.01 g/mol, XLogP of 5.32, 6 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-oxopiperidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10345022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).