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

C23H19ClN4O3S — CID 10367299

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-1-14(11-18(17)27-23)12-21(29)25-15-2-4-16(5-3-15)28-9-10-31-13-22(28)30/h1-8,11H,9-10,12-13H2,(H,25,29)(H,26,27)
InChIKeyJLXGEDHKNZOFGL-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.49
Rot. Bonds5

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

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (PubChem CID 10367299) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
PubChem CID10367299
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-1-14(11-18(17)27-23)12-21(29)25-15-2-4-16(5-3-15)28-9-10-31-13-22(28)30/h1-8,11H,9-10,12-13H2,(H,25,29)(H,26,27)
InChIKeyJLXGEDHKNZOFGL-UHFFFAOYSA-N
XLogP4.49
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(3-oxomorpholin-4-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (CID 10367299) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The InChIKey is JLXGEDHKNZOFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-1-14(11-18(17)27-23)12-21(29)25-15-2-4-16(5-3-15)28-9-10-31-13-22(28)30/h1-8,11H,9-10,12-13H2,(H,25,29)(H,26,27).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide has a molecular weight of 466.95 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is sourced from PubChem (CID 10367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).