4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine

C17H22F3N3O2 — CID 46309462

IUPAC4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H22F3N3O2/c1-24-12-16-21-14-11-13(17(18,19)20)3-4-15(14)23(16)6-2-5-22-7-9-25-10-8-22/h3-4,11H,2,5-10,12H2,1H3
InChIKeyUDAUYWKLAMTCCD-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.92
Rot. Bonds6

About 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine

4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine (PubChem CID 46309462) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
PubChem CID46309462
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H22F3N3O2/c1-24-12-16-21-14-11-13(17(18,19)20)3-4-15(14)23(16)6-2-5-22-7-9-25-10-8-22/h3-4,11H,2,5-10,12H2,1H3
InChIKeyUDAUYWKLAMTCCD-UHFFFAOYSA-N
XLogP2.92
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine (CID 46309462) is 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine is COCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine?
The InChIKey is UDAUYWKLAMTCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-24-12-16-21-14-11-13(17(18,19)20)3-4-15(14)23(16)6-2-5-22-7-9-25-10-8-22/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine?
4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine has a molecular weight of 357.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46309462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).