4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine

C14H16ClF2N3O — CID 62533395

IUPAC4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
SMILESFc1ccc2nc(CCl)n(CCN3CCOCC3)c2c1F
InChIInChI=1S/C14H16ClF2N3O/c15-9-12-18-11-2-1-10(16)13(17)14(11)20(12)4-3-19-5-7-21-8-6-19/h1-2H,3-9H2
InChIKeyBUTIYIQMFLEEHS-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine

4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine (PubChem CID 62533395) has the molecular formula C14H16ClF2N3O and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
PubChem CID62533395
Molecular FormulaC14H16ClF2N3O
Molecular Weight315.75 g/mol
Exact Mass315.09
IUPAC Name4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
SMILESFc1ccc2nc(CCl)n(CCN3CCOCC3)c2c1F
InChIInChI=1S/C14H16ClF2N3O/c15-9-12-18-11-2-1-10(16)13(17)14(11)20(12)4-3-19-5-7-21-8-6-19/h1-2H,3-9H2
InChIKeyBUTIYIQMFLEEHS-UHFFFAOYSA-N
XLogP2.39
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.39
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

2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
2-(chloromethyl)-6,7-difluoro-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 62993069
2-(chloromethyl)-6,7-difluoro-1-octylbenzimidazole
CID 115569242
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(chloromethyl)-6,7-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62533886
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
CID 63004461
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106295132
5-[[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 62532068
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 62533244
methyl 3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 55086421

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine (CID 62533395) is 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine is Fc1ccc2nc(CCl)n(CCN3CCOCC3)c2c1F.
What is the InChIKey of 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine?
The InChIKey is BUTIYIQMFLEEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3O/c15-9-12-18-11-2-1-10(16)13(17)14(11)20(12)4-3-19-5-7-21-8-6-19/h1-2H,3-9H2.
What are the key properties of 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine?
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine has a molecular weight of 315.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 62533395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).