4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine

C26H27N3O3 — CID 144678920

IUPAC4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine
SMILESCc1ccc(OCc2nc3ccc(Oc4cccc(N5CCOCC5)c4)cc3n2C)cc1
InChIInChI=1S/C26H27N3O3/c1-19-6-8-21(9-7-19)31-18-26-27-24-11-10-23(17-25(24)28(26)2)32-22-5-3-4-20(16-22)29-12-14-30-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyPVAAAXJHMNDNLB-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.09
Rot. Bonds6

About 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine

4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine (PubChem CID 144678920) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine
PubChem CID144678920
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine
SMILESCc1ccc(OCc2nc3ccc(Oc4cccc(N5CCOCC5)c4)cc3n2C)cc1
InChIInChI=1S/C26H27N3O3/c1-19-6-8-21(9-7-19)31-18-26-27-24-11-10-23(17-25(24)28(26)2)32-22-5-3-4-20(16-22)29-12-14-30-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyPVAAAXJHMNDNLB-UHFFFAOYSA-N
XLogP5.09
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine with MolForge

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Related Compounds

4-[[1-methyl-6-(3-morpholin-4-ylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid;dihydrochloride
CID 68662280
3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline
CID 144678945
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
CID 144679006
3-[[6-(3-fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
3-[[6-(1,3-benzodioxol-5-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662055
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
CID 162643736
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 2-methyl-3-[[1-methyl-6-(3-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68970988
4-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline;1,3-thiazolidine-2,4-dione
CID 144678867

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine?
The IUPAC name of 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine (CID 144678920) is 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine.
What is the SMILES notation for 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine?
The canonical SMILES for 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine is Cc1ccc(OCc2nc3ccc(Oc4cccc(N5CCOCC5)c4)cc3n2C)cc1.
What is the InChIKey of 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine?
The InChIKey is PVAAAXJHMNDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-6-8-21(9-7-19)31-18-26-27-24-11-10-23(17-25(24)28(26)2)32-22-5-3-4-20(16-22)29-12-14-30-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine?
4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine has a molecular weight of 429.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine is sourced from PubChem (CID 144678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).