2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide

C21H23ClN4O4 — CID 22433704

IUPAC2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H23ClN4O4/c1-24-18-11-16(23-20(27)13-30-15-5-3-14(22)4-6-15)17(26-7-9-29-10-8-26)12-19(18)25(2)21(24)28/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)
InChIKeyRUTDMOLHMUWMCH-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 22433704) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID22433704
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H23ClN4O4/c1-24-18-11-16(23-20(27)13-30-15-5-3-14(22)4-6-15)17(26-7-9-29-10-8-26)12-19(18)25(2)21(24)28/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)
InChIKeyRUTDMOLHMUWMCH-UHFFFAOYSA-N
XLogP2.38
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-acetamide
CID 10201898
N~2~-(5-Chloro-2-Methoxyphenyl)-N-[trans-4-(2-Oxo-2,3-Dihydro-1h-Benzimidazol-1-Yl)cyclohexyl]glycinamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide (CID 22433704) is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is RUTDMOLHMUWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-24-18-11-16(23-20(27)13-30-15-5-3-14(22)4-6-15)17(26-7-9-29-10-8-26)12-19(18)25(2)21(24)28/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 430.89 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 22433704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).