1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine

C14H18F3N3 — CID 120972323

IUPAC1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine
SMILESCC(CNC1=NCCN1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3/c1-10(9-19-13-18-7-8-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyAGIQTYWVCBXHGB-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120972323) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine
PubChem CID120972323
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine
SMILESCC(CNC1=NCCN1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3/c1-10(9-19-13-18-7-8-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyAGIQTYWVCBXHGB-UHFFFAOYSA-N
XLogP2.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine (CID 120972323) is 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine is CC(CNC1=NCCN1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is AGIQTYWVCBXHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-10(9-19-13-18-7-8-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 285.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).