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

C24H21ClN4O2S — CID 12986348

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28)
InChIKeyUFSNUSZAUNPASQ-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.64
Rot. Bonds5

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

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide (PubChem CID 12986348) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
PubChem CID12986348
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28)
InChIKeyUFSNUSZAUNPASQ-UHFFFAOYSA-N
XLogP5.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.64
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]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide (CID 12986348) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(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]acetamide?
The InChIKey is UFSNUSZAUNPASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 464.98 g/mol, XLogP of 5.64, 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-oxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 12986348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).