2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine

C15H18FN3O — CID 79985174

IUPAC2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(CC2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C15H18FN3O/c1-17-5-4-13-8-19(10-18-13)9-14-7-11-6-12(16)2-3-15(11)20-14/h2-3,6,8,10,14,17H,4-5,7,9H2,1H3
InChIKeyDLUDBOJRQFCEFR-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine

2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 79985174) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
PubChem CID79985174
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(CC2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C15H18FN3O/c1-17-5-4-13-8-19(10-18-13)9-14-7-11-6-12(16)2-3-15(11)20-14/h2-3,6,8,10,14,17H,4-5,7,9H2,1H3
InChIKeyDLUDBOJRQFCEFR-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (CID 79985174) is 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is CNCCc1cn(CC2Cc3cc(F)ccc3O2)cn1.
What is the InChIKey of 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The InChIKey is DLUDBOJRQFCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-17-5-4-13-8-19(10-18-13)9-14-7-11-6-12(16)2-3-15(11)20-14/h2-3,6,8,10,14,17H,4-5,7,9H2,1H3.
What are the key properties of 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 275.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79985174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).