2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

C14H15FN2O — CID 10171445

IUPAC2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2cccc(F)c2C2CC21C1=NCCN1
InChIInChI=1S/C14H15FN2O/c1-18-12-8-3-2-4-10(15)11(8)9-7-14(9,12)13-16-5-6-17-13/h2-4,9,12H,5-7H2,1H3,(H,16,17)
InChIKeyMFTIIEMHBYHBHG-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.00
Rot. Bonds2

About 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10171445) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
PubChem CID10171445
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2cccc(F)c2C2CC21C1=NCCN1
InChIInChI=1S/C14H15FN2O/c1-18-12-8-3-2-4-10(15)11(8)9-7-14(9,12)13-16-5-6-17-13/h2-4,9,12H,5-7H2,1H3,(H,16,17)
InChIKeyMFTIIEMHBYHBHG-UHFFFAOYSA-N
XLogP2.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (CID 10171445) is 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is COC1c2cccc(F)c2C2CC21C1=NCCN1.
What is the InChIKey of 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is MFTIIEMHBYHBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-12-8-3-2-4-10(15)11(8)9-7-14(9,12)13-16-5-6-17-13/h2-4,9,12H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 246.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10171445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).