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

C24H21ClN4O2S — CID 12986353

IUPACN-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)23-27-18-9-4-15(13-19(18)28-23)14-26-24(31)16-5-7-17(8-6-16)29-12-2-1-3-22(29)30/h4-11,13H,1-3,12,14H2,(H,26,31)(H,27,28)
InChIKeyYIBAKFJJOVIUBU-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.39
Rot. Bonds5

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

N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 12986353) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID12986353
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC NameN-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)23-27-18-9-4-15(13-19(18)28-23)14-26-24(31)16-5-7-17(8-6-16)29-12-2-1-3-22(29)30/h4-11,13H,1-3,12,14H2,(H,26,31)(H,27,28)
InChIKeyYIBAKFJJOVIUBU-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 12986353) is N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is YIBAKFJJOVIUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)23-27-18-9-4-15(13-19(18)28-23)14-26-24(31)16-5-7-17(8-6-16)29-12-2-1-3-22(29)30/h4-11,13H,1-3,12,14H2,(H,26,31)(H,27,28).
What are the key properties of N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 464.98 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 12986353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).