4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

C28H34N4O3 — CID 137319664

IUPAC4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
SMILESCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C28H34N4O3/c1-4-34-24-9-5-22(6-10-24)7-12-27-29-25-19-23(28-20(2)30-35-21(28)3)8-11-26(25)32(27)14-13-31-15-17-33-18-16-31/h5-6,8-11,19H,4,7,12-18H2,1-3H3
InChIKeyMSCGNHYLPWEZPC-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.82
Rot. Bonds9

About 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine (PubChem CID 137319664) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
PubChem CID137319664
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
SMILESCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C28H34N4O3/c1-4-34-24-9-5-22(6-10-24)7-12-27-29-25-19-23(28-20(2)30-35-21(28)3)8-11-26(25)32(27)14-13-31-15-17-33-18-16-31/h5-6,8-11,19H,4,7,12-18H2,1-3H3
InChIKeyMSCGNHYLPWEZPC-UHFFFAOYSA-N
XLogP4.82
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine (CID 137319664) is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine is CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The InChIKey is MSCGNHYLPWEZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-4-34-24-9-5-22(6-10-24)7-12-27-29-25-19-23(28-20(2)30-35-21(28)3)8-11-26(25)32(27)14-13-31-15-17-33-18-16-31/h5-6,8-11,19H,4,7,12-18H2,1-3H3.
What are the key properties of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 474.61 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 137319664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).