4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole

C12H11FN2O — CID 174395076

IUPAC4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NC(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C12H11FN2O/c1-15-6-10(14-7-15)12-5-8-4-9(13)2-3-11(8)16-12/h2-5,7,10H,6H2,1H3
InChIKeyVSGKHVHUFCVBRE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.59
Rot. Bonds1

About 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole

4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole (PubChem CID 174395076) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole
PubChem CID174395076
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NC(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C12H11FN2O/c1-15-6-10(14-7-15)12-5-8-4-9(13)2-3-11(8)16-12/h2-5,7,10H,6H2,1H3
InChIKeyVSGKHVHUFCVBRE-UHFFFAOYSA-N
XLogP2.59
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;4-(7-fluoronaphthalen-2-yl)-1-methyl-4,5-dihydroimidazole
CID 174385446
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128997708
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 114733630
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
1-[(5-fluoro-1-benzofuran-2-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906424
(3S,4R)-1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769834

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole (CID 174395076) is 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole is CN1C=NC(c2cc3cc(F)ccc3o2)C1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is VSGKHVHUFCVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-15-6-10(14-7-15)12-5-8-4-9(13)2-3-11(8)16-12/h2-5,7,10H,6H2,1H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole?
4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 218.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 174395076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).