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

C16H18N2O — CID 44580785

IUPAC4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole
SMILESCOc1ccc2c(c1)CCC(CC1C=NC=N1)=C2C
InChIInChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyUSEMYRNZDIRDNB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.29
Rot. Bonds3

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

4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole (PubChem CID 44580785) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole.

Molecular Properties

Compound Name4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole
PubChem CID44580785
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole
SMILESCOc1ccc2c(c1)CCC(CC1C=NC=N1)=C2C
InChIInChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyUSEMYRNZDIRDNB-UHFFFAOYSA-N
XLogP3.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole?
The IUPAC name of 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole (CID 44580785) is 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole.
What is the SMILES notation for 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole?
The canonical SMILES for 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole is COc1ccc2c(c1)CCC(CC1C=NC=N1)=C2C.
What is the InChIKey of 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole?
The InChIKey is USEMYRNZDIRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole?
4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole has a molecular weight of 254.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4H-imidazole is sourced from PubChem (CID 44580785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).