2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole

C15H18N2 — CID 124562353

IUPAC2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole
SMILESCc1cc(C)c2c(c1)[C@@H](c1ncc[nH]1)CCC2
InChIInChI=1S/C15H18N2/c1-10-8-11(2)12-4-3-5-13(14(12)9-10)15-16-6-7-17-15/h6-9,13H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyWVYFDOUARWLSTB-ZDUSSCGKSA-N
MW226.32 g/mol
LogP3.49
Rot. Bonds1

About 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole

2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole (PubChem CID 124562353) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole
PubChem CID124562353
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole
SMILESCc1cc(C)c2c(c1)[C@@H](c1ncc[nH]1)CCC2
InChIInChI=1S/C15H18N2/c1-10-8-11(2)12-4-3-5-13(14(12)9-10)15-16-6-7-17-15/h6-9,13H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyWVYFDOUARWLSTB-ZDUSSCGKSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole?
The IUPAC name of 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole (CID 124562353) is 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole?
The canonical SMILES for 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole is Cc1cc(C)c2c(c1)[C@@H](c1ncc[nH]1)CCC2.
What is the InChIKey of 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole?
The InChIKey is WVYFDOUARWLSTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-8-11(2)12-4-3-5-13(14(12)9-10)15-16-6-7-17-15/h6-9,13H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole?
2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole has a molecular weight of 226.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole is sourced from PubChem (CID 124562353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).