[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate

C32H34N4O6 — CID 59449348

IUPAC[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate
SMILESCCC(=O)Oc1cc(-c2nc3ccc(OC)cc3n2CC)c(OC(=O)CC)cc1-c1nc2cc(OC)ccc2n1CC
InChIInChI=1S/C32H34N4O6/c1-7-29(37)41-27-18-22(32-34-24-15-19(39-5)12-14-25(24)35(32)9-3)28(42-30(38)8-2)17-21(27)31-33-23-13-11-20(40-6)16-26(23)36(31)10-4/h11-18H,7-10H2,1-6H3
InChIKeyFARXZRRWBQJXOK-UHFFFAOYSA-N
MW570.65 g/mol
LogP6.41
Rot. Bonds10

About [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate

[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate (PubChem CID 59449348) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate.

Molecular Properties

Compound Name[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate
PubChem CID59449348
Molecular FormulaC32H34N4O6
Molecular Weight570.65 g/mol
Exact Mass570.25
IUPAC Name[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate
SMILESCCC(=O)Oc1cc(-c2nc3ccc(OC)cc3n2CC)c(OC(=O)CC)cc1-c1nc2cc(OC)ccc2n1CC
InChIInChI=1S/C32H34N4O6/c1-7-29(37)41-27-18-22(32-34-24-15-19(39-5)12-14-25(24)35(32)9-3)28(42-30(38)8-2)17-21(27)31-33-23-13-11-20(40-6)16-26(23)36(31)10-4/h11-18H,7-10H2,1-6H3
InChIKeyFARXZRRWBQJXOK-UHFFFAOYSA-N
XLogP6.41
TPSA106.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate?
The IUPAC name of [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate (CID 59449348) is [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate.
What is the SMILES notation for [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate?
The canonical SMILES for [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate is CCC(=O)Oc1cc(-c2nc3ccc(OC)cc3n2CC)c(OC(=O)CC)cc1-c1nc2cc(OC)ccc2n1CC.
What is the InChIKey of [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate?
The InChIKey is FARXZRRWBQJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O6/c1-7-29(37)41-27-18-22(32-34-24-15-19(39-5)12-14-25(24)35(32)9-3)28(42-30(38)8-2)17-21(27)31-33-23-13-11-20(40-6)16-26(23)36(31)10-4/h11-18H,7-10H2,1-6H3.
What are the key properties of [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate?
[5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate has a molecular weight of 570.65 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-(1-ethyl-6-methoxybenzimidazol-2-yl)-4-propanoyloxyphenyl] propanoate is sourced from PubChem (CID 59449348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).