5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole

C15H16N2O — CID 11021023

IUPAC5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole
SMILESCOc1cccc2c1CCC1C(c3cnc[nH]3)C21
InChIInChI=1S/C15H16N2O/c1-18-13-4-2-3-10-9(13)5-6-11-14(10)15(11)12-7-16-8-17-12/h2-4,7-8,11,14-15H,5-6H2,1H3,(H,16,17)
InChIKeyZJLGJEJGRRINJB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds2

About 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole

5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole (PubChem CID 11021023) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole
PubChem CID11021023
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole
SMILESCOc1cccc2c1CCC1C(c3cnc[nH]3)C21
InChIInChI=1S/C15H16N2O/c1-18-13-4-2-3-10-9(13)5-6-11-14(10)15(11)12-7-16-8-17-12/h2-4,7-8,11,14-15H,5-6H2,1H3,(H,16,17)
InChIKeyZJLGJEJGRRINJB-UHFFFAOYSA-N
XLogP2.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole (CID 11021023) is 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole is COc1cccc2c1CCC1C(c3cnc[nH]3)C21.
What is the InChIKey of 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole?
The InChIKey is ZJLGJEJGRRINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-13-4-2-3-10-9(13)5-6-11-14(10)15(11)12-7-16-8-17-12/h2-4,7-8,11,14-15H,5-6H2,1H3,(H,16,17).
What are the key properties of 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole?
5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole has a molecular weight of 240.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 11021023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).