2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide

C23H24N6O6 — CID 58905754

IUPAC2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3)cc2[nH]1
InChIInChI=1S/C23H24N6O6/c1-14-11-20(29-35-14)27-23(31)24-15-3-5-16(6-4-15)34-17-7-8-18-19(12-17)26-22(25-18)28-21(30)13-33-10-9-32-2/h3-8,11-12H,9-10,13H2,1-2H3,(H2,24,27,29,31)(H2,25,26,28,30)
InChIKeyADUXAWQEVGICIX-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.90
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide

2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide (PubChem CID 58905754) has the molecular formula C23H24N6O6 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
PubChem CID58905754
Molecular FormulaC23H24N6O6
Molecular Weight480.48 g/mol
Exact Mass480.18
IUPAC Name2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3)cc2[nH]1
InChIInChI=1S/C23H24N6O6/c1-14-11-20(29-35-14)27-23(31)24-15-3-5-16(6-4-15)34-17-7-8-18-19(12-17)26-22(25-18)28-21(30)13-33-10-9-32-2/h3-8,11-12H,9-10,13H2,1-2H3,(H2,24,27,29,31)(H2,25,26,28,30)
InChIKeyADUXAWQEVGICIX-UHFFFAOYSA-N
XLogP3.90
TPSA152.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide (CID 58905754) is 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide is COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3)cc2[nH]1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is ADUXAWQEVGICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O6/c1-14-11-20(29-35-14)27-23(31)24-15-3-5-16(6-4-15)34-17-7-8-18-19(12-17)26-22(25-18)28-21(30)13-33-10-9-32-2/h3-8,11-12H,9-10,13H2,1-2H3,(H2,24,27,29,31)(H2,25,26,28,30).
What are the key properties of 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 480.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 58905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).