4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine

C23H28ClN3O2 — CID 46309567

IUPAC4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-7-22(18(2)14-17)29-16-23-25-20-6-5-19(24)15-21(20)27(23)9-3-8-26-10-12-28-13-11-26/h4-7,14-15H,3,8-13,16H2,1-2H3
InChIKeyOJDZJJNEZRZPQB-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.61
Rot. Bonds7

About 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine

4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine (PubChem CID 46309567) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
PubChem CID46309567
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-7-22(18(2)14-17)29-16-23-25-20-6-5-19(24)15-21(20)27(23)9-3-8-26-10-12-28-13-11-26/h4-7,14-15H,3,8-13,16H2,1-2H3
InChIKeyOJDZJJNEZRZPQB-UHFFFAOYSA-N
XLogP4.61
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
CID 46309520
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
CID 18885145
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
CID 46309522
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885573

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine (CID 46309567) is 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine is Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCCN2CCOCC2)c(C)c1.
What is the InChIKey of 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine?
The InChIKey is OJDZJJNEZRZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17-4-7-22(18(2)14-17)29-16-23-25-20-6-5-19(24)15-21(20)27(23)9-3-8-26-10-12-28-13-11-26/h4-7,14-15H,3,8-13,16H2,1-2H3.
What are the key properties of 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine?
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine has a molecular weight of 413.95 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).