4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine

C15H19Cl2N3O — CID 43666388

IUPAC4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCN1CCOCC1
InChIInChI=1S/C15H19Cl2N3O/c1-11(16)15-18-13-4-2-3-12(17)14(13)20(15)6-5-19-7-9-21-10-8-19/h2-4,11H,5-10H2,1H3
InChIKeyGUOZOCCKOBJMJR-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.32
Rot. Bonds4

About 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine

4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine (PubChem CID 43666388) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
PubChem CID43666388
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCN1CCOCC1
InChIInChI=1S/C15H19Cl2N3O/c1-11(16)15-18-13-4-2-3-12(17)14(13)20(15)6-5-19-7-9-21-10-8-19/h2-4,11H,5-10H2,1H3
InChIKeyGUOZOCCKOBJMJR-UHFFFAOYSA-N
XLogP3.32
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 43666587
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116

Frequently Asked Questions

What is the IUPAC name of 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine (CID 43666388) is 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine is CC(Cl)c1nc2cccc(Cl)c2n1CCN1CCOCC1.
What is the InChIKey of 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine?
The InChIKey is GUOZOCCKOBJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-11(16)15-18-13-4-2-3-12(17)14(13)20(15)6-5-19-7-9-21-10-8-19/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine?
4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 328.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 43666388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).