4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide

C21H22N4O5 — CID 91149865

IUPAC4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide
SMILESCOCCOc1cccc2[nH]c(C(=O)Nc3ccc(N4CCOCC4=O)cc3)nc12
InChIInChI=1S/C21H22N4O5/c1-28-11-12-30-17-4-2-3-16-19(17)24-20(23-16)21(27)22-14-5-7-15(8-6-14)25-9-10-29-13-18(25)26/h2-8H,9-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyXJLCVFFCPREGSK-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.20
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide

4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide (PubChem CID 91149865) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide
PubChem CID91149865
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide
SMILESCOCCOc1cccc2[nH]c(C(=O)Nc3ccc(N4CCOCC4=O)cc3)nc12
InChIInChI=1S/C21H22N4O5/c1-28-11-12-30-17-4-2-3-16-19(17)24-20(23-16)21(27)22-14-5-7-15(8-6-14)25-9-10-29-13-18(25)26/h2-8H,9-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyXJLCVFFCPREGSK-UHFFFAOYSA-N
XLogP2.20
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyridine-3-carboxamide
CID 110617692
N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110611023
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide
CID 90728857
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
5-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 110665423
3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110611034
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide (CID 91149865) is 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide is COCCOc1cccc2[nH]c(C(=O)Nc3ccc(N4CCOCC4=O)cc3)nc12.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is XJLCVFFCPREGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-28-11-12-30-17-4-2-3-16-19(17)24-20(23-16)21(27)22-14-5-7-15(8-6-14)25-9-10-29-13-18(25)26/h2-8H,9-13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide?
4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 91149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).