4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine

C15H18F3N3 — CID 106557107

IUPAC4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H18F3N3/c1-10(2)8-21-9-11(3)19-14(21)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyKHUCDHRKGZUQFQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.61
Rot. Bonds4

About 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106557107) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106557107
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H18F3N3/c1-10(2)8-21-9-11(3)19-14(21)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyKHUCDHRKGZUQFQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106557107) is 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is KHUCDHRKGZUQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)8-21-9-11(3)19-14(21)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,9-10H,8H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).