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

C14H16F3N3O — CID 106570701

IUPAC1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCOCCn1ccnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-21-9-8-20-7-6-18-13(20)19-10-11-2-4-12(5-3-11)14(15,16)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyLTQFYGROGJDVIH-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.16
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 106570701) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID106570701
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCOCCn1ccnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-21-9-8-20-7-6-18-13(20)19-10-11-2-4-12(5-3-11)14(15,16)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyLTQFYGROGJDVIH-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
1-(2-methoxyethyl)-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
CID 106568802
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411
1-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]imidazol-2-amine
CID 106556779
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572554
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
1-(2-methoxyethyl)-N-(3-methyl-2-propan-2-ylbutyl)imidazol-2-amine
CID 106582922
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470
N-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 106570701) is 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is COCCn1ccnc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is LTQFYGROGJDVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-9-8-20-7-6-18-13(20)19-10-11-2-4-12(5-3-11)14(15,16)17/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 299.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 106570701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).