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

C14H16N2O — CID 10633117

IUPAC5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCOc1ccc2c(c1)CCCC2c1cnc[nH]1
InChIInChI=1S/C14H16N2O/c1-17-11-5-6-12-10(7-11)3-2-4-13(12)14-8-15-9-16-14/h5-9,13H,2-4H2,1H3,(H,15,16)
InChIKeyPDZOBADSVBKQKE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.89
Rot. Bonds2

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

5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (PubChem CID 10633117) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
PubChem CID10633117
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCOc1ccc2c(c1)CCCC2c1cnc[nH]1
InChIInChI=1S/C14H16N2O/c1-17-11-5-6-12-10(7-11)3-2-4-13(12)14-8-15-9-16-14/h5-9,13H,2-4H2,1H3,(H,15,16)
InChIKeyPDZOBADSVBKQKE-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (CID 10633117) is 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is COc1ccc2c(c1)CCCC2c1cnc[nH]1.
What is the InChIKey of 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The InChIKey is PDZOBADSVBKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-11-5-6-12-10(7-11)3-2-4-13(12)14-8-15-9-16-14/h5-9,13H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
5-(6-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 10633117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).