1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole

C12H11FN2O — CID 66360136

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
SMILESFc1ccc2c(c1)CC(Cn1ccnc1)O2
InChIInChI=1S/C12H11FN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-5,8,11H,6-7H2
InChIKeyOKPZLEBPIUAJOL-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.03
Rot. Bonds2

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole (PubChem CID 66360136) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
PubChem CID66360136
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
SMILESFc1ccc2c(c1)CC(Cn1ccnc1)O2
InChIInChI=1S/C12H11FN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-5,8,11H,6-7H2
InChIKeyOKPZLEBPIUAJOL-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 106720840
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79102300
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404681
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719608
2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79985174
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721388
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
CID 66365093
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 66360684
1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
CID 66361467
5,6-dichloro-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidin-4-one
CID 114582943

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole (CID 66360136) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole is Fc1ccc2c(c1)CC(Cn1ccnc1)O2.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole?
The InChIKey is OKPZLEBPIUAJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-5,8,11H,6-7H2.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole has a molecular weight of 218.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole is sourced from PubChem (CID 66360136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).