4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine

C23H29N3O3S — CID 170870358

IUPAC4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine
SMILESCOc1ccc2nc(SCc3cc(CCCN4CCOCC4)ccc3OC)[nH]c2c1
InChIInChI=1S/C23H29N3O3S/c1-27-19-6-7-20-21(15-19)25-23(24-20)30-16-18-14-17(5-8-22(18)28-2)4-3-9-26-10-12-29-13-11-26/h5-8,14-15H,3-4,9-13,16H2,1-2H3,(H,24,25)
InChIKeyCJEUUXOYYWKQOX-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.14
Rot. Bonds9

About 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine

4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine (PubChem CID 170870358) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine
PubChem CID170870358
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine
SMILESCOc1ccc2nc(SCc3cc(CCCN4CCOCC4)ccc3OC)[nH]c2c1
InChIInChI=1S/C23H29N3O3S/c1-27-19-6-7-20-21(15-19)25-23(24-20)30-16-18-14-17(5-8-22(18)28-2)4-3-9-26-10-12-29-13-11-26/h5-8,14-15H,3-4,9-13,16H2,1-2H3,(H,24,25)
InChIKeyCJEUUXOYYWKQOX-UHFFFAOYSA-N
XLogP4.14
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine with MolForge

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Related Compounds

6-methoxy-2-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methylsulfanyl]-1H-benzimidazole
CID 170863627
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;dihydrochloride
CID 11349505
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[4-methoxy-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propyl]-4-methylpiperazine
CID 170863976
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-[[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]guanidine
CID 168592282
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine (CID 170870358) is 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine is COc1ccc2nc(SCc3cc(CCCN4CCOCC4)ccc3OC)[nH]c2c1.
What is the InChIKey of 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine?
The InChIKey is CJEUUXOYYWKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-27-19-6-7-20-21(15-19)25-23(24-20)30-16-18-14-17(5-8-22(18)28-2)4-3-9-26-10-12-29-13-11-26/h5-8,14-15H,3-4,9-13,16H2,1-2H3,(H,24,25).
What are the key properties of 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine?
4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine has a molecular weight of 427.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine is sourced from PubChem (CID 170870358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).