1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole

C14H16N2 — CID 91528973

IUPAC1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
SMILESCn1cncc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2/c1-16-10-15-9-14(16)13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3
InChIKeyWXCUIVJIEPUHJN-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.97
Rot. Bonds1

About 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole

1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole (PubChem CID 91528973) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
PubChem CID91528973
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
SMILESCn1cncc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2/c1-16-10-15-9-14(16)13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3
InChIKeyWXCUIVJIEPUHJN-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole (CID 91528973) is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole is Cn1cncc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The InChIKey is WXCUIVJIEPUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16-10-15-9-14(16)13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3.
What are the key properties of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole has a molecular weight of 212.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 91528973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).