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

C24H21ClN4O2S — CID 10004676

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)ccc1N1CCCC1=O
InChIInChI=1S/C24H21ClN4O2S/c1-14-11-16(5-7-19(14)29-10-2-3-23(29)31)26-22(30)13-15-4-6-17-18(12-15)28-24(27-17)20-8-9-21(25)32-20/h4-9,11-12H,2-3,10,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyVWZRQESWIIHOJO-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.56
Rot. Bonds5

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

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 10004676) 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-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID10004676
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)ccc1N1CCCC1=O
InChIInChI=1S/C24H21ClN4O2S/c1-14-11-16(5-7-19(14)29-10-2-3-23(29)31)26-22(30)13-15-4-6-17-18(12-15)28-24(27-17)20-8-9-21(25)32-20/h4-9,11-12H,2-3,10,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyVWZRQESWIIHOJO-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
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-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 10004676) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)ccc1N1CCCC1=O.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is VWZRQESWIIHOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-14-11-16(5-7-19(14)29-10-2-3-23(29)31)26-22(30)13-15-4-6-17-18(12-15)28-24(27-17)20-8-9-21(25)32-20/h4-9,11-12H,2-3,10,13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 464.98 g/mol, XLogP of 5.56, 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-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 10004676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).