3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

C15H20F3N3O — CID 46308922

IUPAC3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C
InChIInChI=1S/C15H20F3N3O/c1-20(2)7-4-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyCOTNSQQUZAGPIT-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.15
Rot. Bonds6

About 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 46308922) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID46308922
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C
InChIInChI=1S/C15H20F3N3O/c1-20(2)7-4-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyCOTNSQQUZAGPIT-UHFFFAOYSA-N
XLogP3.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 46308922) is 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is COCc1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C.
What is the InChIKey of 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is COTNSQQUZAGPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-20(2)7-4-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22-3/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 315.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 46308922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).