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

C11H10F3N3 — CID 106557098

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCNc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3/c1-15-10-16-6-7-17(10)9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3,(H,15,16)
InChIKeyZBRKKUSXOUKIDG-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.93
Rot. Bonds2

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

N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106557098) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106557098
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCNc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3/c1-15-10-16-6-7-17(10)9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3,(H,15,16)
InChIKeyZBRKKUSXOUKIDG-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
CID 107336923
N-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569632
3-amino-1-[4-(trifluoromethyl)phenyl]pyrazin-2-one
CID 172903263
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
1-(9H-fluoren-2-yl)-N-methylimidazol-2-amine
CID 106556782
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
CID 106557968
N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
CID 86933333
3-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-one
CID 154206202
1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
CID 107581447
N-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557401

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106557098) is N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine is CNc1nccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is ZBRKKUSXOUKIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-15-10-16-6-7-17(10)9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3,(H,15,16).
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine?
N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 241.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106557098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).