N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine

C20H18FN3O — CID 166187485

IUPACN-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
SMILESFc1ccc(C(Cn2ccnc2)NCc2coc3ccccc23)cc1
InChIInChI=1S/C20H18FN3O/c21-17-7-5-15(6-8-17)19(12-24-10-9-22-14-24)23-11-16-13-25-20-4-2-1-3-18(16)20/h1-10,13-14,19,23H,11-12H2
InChIKeyOLNWLFXYBBDKFA-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.30
Rot. Bonds6

About N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine

N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine (PubChem CID 166187485) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
PubChem CID166187485
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
SMILESFc1ccc(C(Cn2ccnc2)NCc2coc3ccccc23)cc1
InChIInChI=1S/C20H18FN3O/c21-17-7-5-15(6-8-17)19(12-24-10-9-22-14-24)23-11-16-13-25-20-4-2-1-3-18(16)20/h1-10,13-14,19,23H,11-12H2
InChIKeyOLNWLFXYBBDKFA-UHFFFAOYSA-N
XLogP4.30
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166251781
N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
CID 166310142
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)propan-1-amine
CID 80700601
5-[[[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]amino]methyl]-2-[(4-fluorophenyl)methyl]benzoic acid
CID 70157075
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine
CID 46989004
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine (CID 166187485) is N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine is Fc1ccc(C(Cn2ccnc2)NCc2coc3ccccc23)cc1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The InChIKey is OLNWLFXYBBDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-17-7-5-15(6-8-17)19(12-24-10-9-22-14-24)23-11-16-13-25-20-4-2-1-3-18(16)20/h1-10,13-14,19,23H,11-12H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine has a molecular weight of 335.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 166187485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).