2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide

C22H25ClN4O3 — CID 22433703

IUPAC2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C22H25ClN4O3/c1-25-19-12-17(24-21(28)14-30-16-8-6-15(23)7-9-16)18(27-10-4-3-5-11-27)13-20(19)26(2)22(25)29/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,28)
InChIKeyYOHJEDKTXPOJDP-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide (PubChem CID 22433703) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide
PubChem CID22433703
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C22H25ClN4O3/c1-25-19-12-17(24-21(28)14-30-16-8-6-15(23)7-9-16)18(27-10-4-3-5-11-27)13-20(19)26(2)22(25)29/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,28)
InChIKeyYOHJEDKTXPOJDP-UHFFFAOYSA-N
XLogP3.54
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide (CID 22433703) is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide?
The InChIKey is YOHJEDKTXPOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-25-19-12-17(24-21(28)14-30-16-8-6-15(23)7-9-16)18(27-10-4-3-5-11-27)13-20(19)26(2)22(25)29/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 22433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).