5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole

C15H16N2 — CID 10727862

IUPAC5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole
SMILESCc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCC2
InChIInChI=1S/C15H16N2/c1-10-6-11(2)12-4-3-5-13(14(12)7-10)15-8-16-9-17-15/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyGQDXDQJDNRRLRK-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.40
Rot. Bonds1

About 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole

5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole (PubChem CID 10727862) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole
PubChem CID10727862
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole
SMILESCc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCC2
InChIInChI=1S/C15H16N2/c1-10-6-11(2)12-4-3-5-13(14(12)7-10)15-8-16-9-17-15/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyGQDXDQJDNRRLRK-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole (CID 10727862) is 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole is Cc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCC2.
What is the InChIKey of 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole?
The InChIKey is GQDXDQJDNRRLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-6-11(2)12-4-3-5-13(14(12)7-10)15-8-16-9-17-15/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole?
5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole has a molecular weight of 224.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 10727862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).