4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine

C12H12Cl3N3O — CID 83018502

IUPAC4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine
SMILESClCc1nc2cc(Cl)c(Cl)cc2n1N1CCOCC1
InChIInChI=1S/C12H12Cl3N3O/c13-7-12-16-10-5-8(14)9(15)6-11(10)18(12)17-1-3-19-4-2-17/h5-6H,1-4,7H2
InChIKeyPQPFHXFMDSBXBC-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.05
Rot. Bonds2

About 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine

4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine (PubChem CID 83018502) has the molecular formula C12H12Cl3N3O and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine
PubChem CID83018502
Molecular FormulaC12H12Cl3N3O
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine
SMILESClCc1nc2cc(Cl)c(Cl)cc2n1N1CCOCC1
InChIInChI=1S/C12H12Cl3N3O/c13-7-12-16-10-5-8(14)9(15)6-11(10)18(12)17-1-3-19-4-2-17/h5-6H,1-4,7H2
InChIKeyPQPFHXFMDSBXBC-UHFFFAOYSA-N
XLogP3.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine?
The IUPAC name of 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine (CID 83018502) is 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine.
What is the SMILES notation for 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine?
The canonical SMILES for 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine is ClCc1nc2cc(Cl)c(Cl)cc2n1N1CCOCC1.
What is the InChIKey of 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine?
The InChIKey is PQPFHXFMDSBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3N3O/c13-7-12-16-10-5-8(14)9(15)6-11(10)18(12)17-1-3-19-4-2-17/h5-6H,1-4,7H2.
What are the key properties of 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine?
4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine has a molecular weight of 320.61 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]morpholine is sourced from PubChem (CID 83018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).