5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole

C17H20N2O2 — CID 23644758

IUPAC5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1cc2c(cc1OC)C(C)=C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C17H20N2O2/c1-11-12(6-14-9-18-10-19-14)4-5-13-7-16(20-2)17(21-3)8-15(11)13/h7-10H,4-6H2,1-3H3,(H,18,19)
InChIKeyRSIGRRPNULEULT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds4

About 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole

5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (PubChem CID 23644758) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
PubChem CID23644758
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1cc2c(cc1OC)C(C)=C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C17H20N2O2/c1-11-12(6-14-9-18-10-19-14)4-5-13-7-16(20-2)17(21-3)8-15(11)13/h7-10H,4-6H2,1-3H3,(H,18,19)
InChIKeyRSIGRRPNULEULT-UHFFFAOYSA-N
XLogP3.39
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (CID 23644758) is 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is COc1cc2c(cc1OC)C(C)=C(Cc1cnc[nH]1)CC2.
What is the InChIKey of 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The InChIKey is RSIGRRPNULEULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-12(6-14-9-18-10-19-14)4-5-13-7-16(20-2)17(21-3)8-15(11)13/h7-10H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole has a molecular weight of 284.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 23644758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).