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

C14H16N2 — CID 10219984

IUPAC5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C14H16N2/c1-10-4-2-6-12-11(10)5-3-7-13(12)14-8-15-9-16-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,15,16)
InChIKeyPBKUWTSPSPWXNE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.19
Rot. Bonds1

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

5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (PubChem CID 10219984) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
PubChem CID10219984
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
SMILESCc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C14H16N2/c1-10-4-2-6-12-11(10)5-3-7-13(12)14-8-15-9-16-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,15,16)
InChIKeyPBKUWTSPSPWXNE-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole (CID 10219984) is 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is Cc1cccc2c1CCCC2c1cnc[nH]1.
What is the InChIKey of 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
The InChIKey is PBKUWTSPSPWXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-4-2-6-12-11(10)5-3-7-13(12)14-8-15-9-16-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,15,16).
What are the key properties of 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole?
5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 10219984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).