4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine

C15H22N3O+ — CID 166081925

IUPAC4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine
SMILESCC(c1cccc2c1N=C[N+]2(C)C)N1CCOCC1
InChIInChI=1S/C15H22N3O/c1-12(17-7-9-19-10-8-17)13-5-4-6-14-15(13)16-11-18(14,2)3/h4-6,11-12H,7-10H2,1-3H3/q+1
InChIKeyONPVEGNYZKQBTB-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.32
Rot. Bonds2

About 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine

4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine (PubChem CID 166081925) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine
PubChem CID166081925
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC Name4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine
SMILESCC(c1cccc2c1N=C[N+]2(C)C)N1CCOCC1
InChIInChI=1S/C15H22N3O/c1-12(17-7-9-19-10-8-17)13-5-4-6-14-15(13)16-11-18(14,2)3/h4-6,11-12H,7-10H2,1-3H3/q+1
InChIKeyONPVEGNYZKQBTB-UHFFFAOYSA-N
XLogP2.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-morpholin-4-ylethyl)benzaldehyde
CID 105474307
1,1-dimethyl-4-(pyrrolidin-1-ylmethyl)benzimidazol-1-ium
CID 166081950
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
CID 122541325
ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
CID 63327568
4-[1-(3H-inden-1-yl)ethyl]morpholine
CID 57286828
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
1,2,3-trimethyl-5-(1-morpholin-4-ylethyl)pyridin-4-one
CID 126731272
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
2-morpholin-4-yl-1-phenyl-1-pyridin-4-ylpropan-1-ol
CID 70794231
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine?
The IUPAC name of 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine (CID 166081925) is 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine is CC(c1cccc2c1N=C[N+]2(C)C)N1CCOCC1.
What is the InChIKey of 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine?
The InChIKey is ONPVEGNYZKQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O/c1-12(17-7-9-19-10-8-17)13-5-4-6-14-15(13)16-11-18(14,2)3/h4-6,11-12H,7-10H2,1-3H3/q+1.
What are the key properties of 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine?
4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine has a molecular weight of 260.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine is sourced from PubChem (CID 166081925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).