[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

C19H18FN3O — CID 95199582

IUPAC[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(-c3ccc(Cn4ccnc4)cc3)cc(F)c2O1
InChIInChI=1S/C19H18FN3O/c20-18-9-15(7-16-8-17(10-21)24-19(16)18)14-3-1-13(2-4-14)11-23-6-5-22-12-23/h1-7,9,12,17H,8,10-11,21H2/t17-/m0/s1
InChIKeyAYTQWTMCZXAPQZ-KRWDZBQOSA-N
MW323.37 g/mol
LogP3.00
Rot. Bonds4

About [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95199582) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95199582
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(-c3ccc(Cn4ccnc4)cc3)cc(F)c2O1
InChIInChI=1S/C19H18FN3O/c20-18-9-15(7-16-8-17(10-21)24-19(16)18)14-3-1-13(2-4-14)11-23-6-5-22-12-23/h1-7,9,12,17H,8,10-11,21H2/t17-/m0/s1
InChIKeyAYTQWTMCZXAPQZ-KRWDZBQOSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol
CID 166306335
1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 158038187
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
CID 72861996
(5R)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11690245
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129385663
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
CID 56706391
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95199582) is [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@@H]1Cc2cc(-c3ccc(Cn4ccnc4)cc3)cc(F)c2O1.
What is the InChIKey of [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is AYTQWTMCZXAPQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-18-9-15(7-16-8-17(10-21)24-19(16)18)14-3-1-13(2-4-14)11-23-6-5-22-12-23/h1-7,9,12,17H,8,10-11,21H2/t17-/m0/s1.
What are the key properties of [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 323.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95199582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).