N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine

C17H16F3N3O — CID 75519213

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCn1ccnc1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H16F3N3O/c1-23-8-7-22-16(23)11-21-10-14-5-6-15(24-14)12-3-2-4-13(9-12)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKeyGOGRZWLHNZGQHE-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.99
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine (PubChem CID 75519213) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
PubChem CID75519213
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCn1ccnc1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H16F3N3O/c1-23-8-7-22-16(23)11-21-10-14-5-6-15(24-14)12-3-2-4-13(9-12)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKeyGOGRZWLHNZGQHE-UHFFFAOYSA-N
XLogP3.99
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine (CID 75519213) is N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine is Cn1ccnc1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The InChIKey is GOGRZWLHNZGQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-23-8-7-22-16(23)11-21-10-14-5-6-15(24-14)12-3-2-4-13(9-12)17(18,19)20/h2-9,21H,10-11H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine has a molecular weight of 335.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine is sourced from PubChem (CID 75519213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).