4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine

C17H24ClN3O — CID 46309516

IUPAC4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
SMILESCC(C)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C17H24ClN3O/c1-13(2)17-19-15-5-4-14(18)12-16(15)21(17)7-3-6-20-8-10-22-11-9-20/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyUHXZWRYVHSSVTP-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.54
Rot. Bonds5

About 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine

4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine (PubChem CID 46309516) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
PubChem CID46309516
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
SMILESCC(C)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C17H24ClN3O/c1-13(2)17-19-15-5-4-14(18)12-16(15)21(17)7-3-6-20-8-10-22-11-9-20/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyUHXZWRYVHSSVTP-UHFFFAOYSA-N
XLogP3.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Emedastine
CID 3219
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 113622
6-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 10419809
1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590807
1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590868
5-chloro-2-methyl-1-phenyl-1H-benzimidazole
CID 97024
1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
CID 76064
1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
CID 76717
5-Chloro-1,2-dimethyl-1H-benzimidazole
CID 13032420
1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-
CID 86310
1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol
CID 44590806
1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol
CID 44590867

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine (CID 46309516) is 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine is CC(C)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine?
The InChIKey is UHXZWRYVHSSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13(2)17-19-15-5-4-14(18)12-16(15)21(17)7-3-6-20-8-10-22-11-9-20/h4-5,12-13H,3,6-11H2,1-2H3.
What are the key properties of 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine?
4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine has a molecular weight of 321.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine is sourced from PubChem (CID 46309516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).