5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C21H21N3O5 — CID 71496205

IUPAC5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3C)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-24-10-22-18-13(6-7-14(25-2)19(18)24)20-17(23-11-29-20)12-8-15(26-3)21(28-5)16(9-12)27-4/h6-11H,1-5H3
InChIKeyVWDMQTRMYZHESC-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.93
Rot. Bonds6

About 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 71496205) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID71496205
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3C)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-24-10-22-18-13(6-7-14(25-2)19(18)24)20-17(23-11-29-20)12-8-15(26-3)21(28-5)16(9-12)27-4/h6-11H,1-5H3
InChIKeyVWDMQTRMYZHESC-UHFFFAOYSA-N
XLogP3.93
TPSA80.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 71496205) is 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3C)cc(OC)c1OC.
What is the InChIKey of 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is VWDMQTRMYZHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-24-10-22-18-13(6-7-14(25-2)19(18)24)20-17(23-11-29-20)12-8-15(26-3)21(28-5)16(9-12)27-4/h6-11H,1-5H3.
What are the key properties of 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 395.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71496205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).