2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide

C22H22N4O6 — CID 71496315

IUPAC2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CC(N)=O)cc(OC)c1OC
InChIInChI=1S/C22H22N4O6/c1-28-14-6-5-13(19-20(14)26(10-24-19)9-17(23)27)21-18(25-11-32-21)12-7-15(29-2)22(31-4)16(8-12)30-3/h5-8,10-11H,9H2,1-4H3,(H2,23,27)
InChIKeyWJDZBMYVUAWKGI-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.88
Rot. Bonds8

About 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide

2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide (PubChem CID 71496315) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide
PubChem CID71496315
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Name2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CC(N)=O)cc(OC)c1OC
InChIInChI=1S/C22H22N4O6/c1-28-14-6-5-13(19-20(14)26(10-24-19)9-17(23)27)21-18(25-11-32-21)12-7-15(29-2)22(31-4)16(8-12)30-3/h5-8,10-11H,9H2,1-4H3,(H2,23,27)
InChIKeyWJDZBMYVUAWKGI-UHFFFAOYSA-N
XLogP2.88
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide (CID 71496315) is 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide is COc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CC(N)=O)cc(OC)c1OC.
What is the InChIKey of 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide?
The InChIKey is WJDZBMYVUAWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-28-14-6-5-13(19-20(14)26(10-24-19)9-17(23)27)21-18(25-11-32-21)12-7-15(29-2)22(31-4)16(8-12)30-3/h5-8,10-11H,9H2,1-4H3,(H2,23,27).
What are the key properties of 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide?
2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide has a molecular weight of 438.44 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 71496315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).