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

C12H20F3N3 — CID 120970989

IUPAC1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3/c1-18-7-6-16-11(18)17-8-9-2-4-10(5-3-9)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyFVHMEFSRUDLQPT-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.25
Rot. Bonds2

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

1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120970989) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120970989
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3/c1-18-7-6-16-11(18)17-8-9-2-4-10(5-3-9)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyFVHMEFSRUDLQPT-UHFFFAOYSA-N
XLogP2.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120970989) is 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FVHMEFSRUDLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-18-7-6-16-11(18)17-8-9-2-4-10(5-3-9)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 263.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).