2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole

C15H18F3N3O — CID 118759082

IUPAC2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1C1CCNCC1
InChIInChI=1S/C15H18F3N3O/c1-22-9-14-20-12-8-10(15(16,17)18)2-3-13(12)21(14)11-4-6-19-7-5-11/h2-3,8,11,19H,4-7,9H2,1H3
InChIKeyZBSMIKQHRWBQPP-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.13
Rot. Bonds3

About 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole

2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 118759082) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
PubChem CID118759082
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1C1CCNCC1
InChIInChI=1S/C15H18F3N3O/c1-22-9-14-20-12-8-10(15(16,17)18)2-3-13(12)21(14)11-4-6-19-7-5-11/h2-3,8,11,19H,4-7,9H2,1H3
InChIKeyZBSMIKQHRWBQPP-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759237
3-(3-fluorophenyl)-1-[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74787244
[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 118757725
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
1-piperidin-4-yl-5-(trifluoromethyl)benzotriazole;hydrate;hydrochloride
CID 53444633
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
CID 115950372
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
CID 46309462
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole (CID 118759082) is 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole is COCc1nc2cc(C(F)(F)F)ccc2n1C1CCNCC1.
What is the InChIKey of 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is ZBSMIKQHRWBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-22-9-14-20-12-8-10(15(16,17)18)2-3-13(12)21(14)11-4-6-19-7-5-11/h2-3,8,11,19H,4-7,9H2,1H3.
What are the key properties of 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 313.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 118759082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).