5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole

C14H16N2O — CID 22923989

IUPAC5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCOc1cccc2c1C(c1cnc[nH]1)CCC2
InChIInChI=1S/C14H16N2O/c1-17-13-7-3-5-10-4-2-6-11(14(10)13)12-8-15-9-16-12/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,16)
InChIKeyHFTBVARPKWTZFC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.89
Rot. Bonds2

About 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole

5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (PubChem CID 22923989) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
PubChem CID22923989
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCOc1cccc2c1C(c1cnc[nH]1)CCC2
InChIInChI=1S/C14H16N2O/c1-17-13-7-3-5-10-4-2-6-11(14(10)13)12-8-15-9-16-12/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,16)
InChIKeyHFTBVARPKWTZFC-UHFFFAOYSA-N
XLogP2.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (CID 22923989) is 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is COc1cccc2c1C(c1cnc[nH]1)CCC2.
What is the InChIKey of 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The InChIKey is HFTBVARPKWTZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-13-7-3-5-10-4-2-6-11(14(10)13)12-8-15-9-16-12/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole has a molecular weight of 228.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 22923989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).