1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine

C16H20F3N3O — CID 71050589

IUPAC1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine
SMILESCCC(CNc1ncc(C(F)(F)F)n1C)Oc1cccc(C)c1
InChIInChI=1S/C16H20F3N3O/c1-4-12(23-13-7-5-6-11(2)8-13)9-20-15-21-10-14(22(15)3)16(17,18)19/h5-8,10,12H,4,9H2,1-3H3,(H,20,21)
InChIKeyDQPHLOVZUTYKQH-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.02
Rot. Bonds6

About 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine

1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine (PubChem CID 71050589) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine
PubChem CID71050589
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine
SMILESCCC(CNc1ncc(C(F)(F)F)n1C)Oc1cccc(C)c1
InChIInChI=1S/C16H20F3N3O/c1-4-12(23-13-7-5-6-11(2)8-13)9-20-15-21-10-14(22(15)3)16(17,18)19/h5-8,10,12H,4,9H2,1-3H3,(H,20,21)
InChIKeyDQPHLOVZUTYKQH-UHFFFAOYSA-N
XLogP4.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine (CID 71050589) is 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine is CCC(CNc1ncc(C(F)(F)F)n1C)Oc1cccc(C)c1.
What is the InChIKey of 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine?
The InChIKey is DQPHLOVZUTYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-4-12(23-13-7-5-6-11(2)8-13)9-20-15-21-10-14(22(15)3)16(17,18)19/h5-8,10,12H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine?
1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine has a molecular weight of 327.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine is sourced from PubChem (CID 71050589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).