5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole

C15H18N2O — CID 18405300

IUPAC5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
SMILESCOc1cc2c(c(C)c1C)CCC2c1cnc[nH]1
InChIInChI=1S/C15H18N2O/c1-9-10(2)15(18-3)6-13-11(9)4-5-12(13)14-7-16-8-17-14/h6-8,12H,4-5H2,1-3H3,(H,16,17)
InChIKeyNJZVTLVQUICYRE-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.11
Rot. Bonds2

About 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole

5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole (PubChem CID 18405300) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
PubChem CID18405300
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
SMILESCOc1cc2c(c(C)c1C)CCC2c1cnc[nH]1
InChIInChI=1S/C15H18N2O/c1-9-10(2)15(18-3)6-13-11(9)4-5-12(13)14-7-16-8-17-14/h6-8,12H,4-5H2,1-3H3,(H,16,17)
InChIKeyNJZVTLVQUICYRE-UHFFFAOYSA-N
XLogP3.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole?
The IUPAC name of 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole (CID 18405300) is 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole?
The canonical SMILES for 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole is COc1cc2c(c(C)c1C)CCC2c1cnc[nH]1.
What is the InChIKey of 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole?
The InChIKey is NJZVTLVQUICYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-10(2)15(18-3)6-13-11(9)4-5-12(13)14-7-16-8-17-14/h6-8,12H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole?
5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole has a molecular weight of 242.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole is sourced from PubChem (CID 18405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).