2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

C14H15FN2O — CID 10285974

IUPAC2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2ccc(F)cc2C2CC21C1=NCCN1
InChIInChI=1S/C14H15FN2O/c1-18-12-9-3-2-8(15)6-10(9)11-7-14(11,12)13-16-4-5-17-13/h2-3,6,11-12H,4-5,7H2,1H3,(H,16,17)
InChIKeyIVISFXUMKMNTGQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.00
Rot. Bonds2

About 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10285974) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
PubChem CID10285974
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2ccc(F)cc2C2CC21C1=NCCN1
InChIInChI=1S/C14H15FN2O/c1-18-12-9-3-2-8(15)6-10(9)11-7-14(11,12)13-16-4-5-17-13/h2-3,6,11-12H,4-5,7H2,1H3,(H,16,17)
InChIKeyIVISFXUMKMNTGQ-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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Related Compounds

2-(2-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
CID 10171445
2-(5-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
CID 10214590
2-(4-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
CID 10308061
2-[(6S,6aR)-3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-4,5-dihydro-1H-imidazole
CID 60007268
6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
CID 10285894
2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
CID 10307995
(6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
CID 12074750
2-[(6S,6aR)-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-4,5-dihydro-1H-imidazole
CID 12074751
(6R)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
CID 69727237
(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
CID 142273758

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (CID 10285974) is 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is COC1c2ccc(F)cc2C2CC21C1=NCCN1.
What is the InChIKey of 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is IVISFXUMKMNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-12-9-3-2-8(15)6-10(9)11-7-14(11,12)13-16-4-5-17-13/h2-3,6,11-12H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 2-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
2-(3-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-(3-fluoro-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).