3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine

C13H16F3N3O — CID 81456416

IUPAC3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
SMILESCOCCC(N)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C13H16F3N3O/c1-19-11-4-3-8(13(14,15)16)7-10(11)18-12(19)9(17)5-6-20-2/h3-4,7,9H,5-6,17H2,1-2H3
InChIKeyQGTSCRZKQRCCRU-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.63
Rot. Bonds4

About 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine

3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine (PubChem CID 81456416) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
PubChem CID81456416
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
SMILESCOCCC(N)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C13H16F3N3O/c1-19-11-4-3-8(13(14,15)16)7-10(11)18-12(19)9(17)5-6-20-2/h3-4,7,9H,5-6,17H2,1-2H3
InChIKeyQGTSCRZKQRCCRU-UHFFFAOYSA-N
XLogP2.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine (CID 81456416) is 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine is COCCC(N)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine?
The InChIKey is QGTSCRZKQRCCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-19-11-4-3-8(13(14,15)16)7-10(11)18-12(19)9(17)5-6-20-2/h3-4,7,9H,5-6,17H2,1-2H3.
What are the key properties of 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine?
3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine has a molecular weight of 287.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 81456416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).