5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole

C15H18N2O — CID 10586263

IUPAC5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1ccc2c(c1)CCC(Cc1cnc[nH]1)C2
InChIInChI=1S/C15H18N2O/c1-18-15-5-4-12-6-11(2-3-13(12)8-15)7-14-9-16-10-17-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyMIDIPXUWEYWPCP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds3

About 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole

5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole (PubChem CID 10586263) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole
PubChem CID10586263
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1ccc2c(c1)CCC(Cc1cnc[nH]1)C2
InChIInChI=1S/C15H18N2O/c1-18-15-5-4-12-6-11(2-3-13(12)8-15)7-14-9-16-10-17-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyMIDIPXUWEYWPCP-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole (CID 10586263) is 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole is COc1ccc2c(c1)CCC(Cc1cnc[nH]1)C2.
What is the InChIKey of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole?
The InChIKey is MIDIPXUWEYWPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-5-4-12-6-11(2-3-13(12)8-15)7-14-9-16-10-17-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole?
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole has a molecular weight of 242.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 10586263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).