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

C16H18N2O — CID 12045082

IUPAC5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1cccc2c1CCC(Cc1cnc[nH]1)=C2C
InChIInChI=1S/C16H18N2O/c1-11-12(8-13-9-17-10-18-13)6-7-15-14(11)4-3-5-16(15)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)
InChIKeyPCOSMFSPURHXTF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.38
Rot. Bonds3

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

5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (PubChem CID 12045082) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
PubChem CID12045082
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCOc1cccc2c1CCC(Cc1cnc[nH]1)=C2C
InChIInChI=1S/C16H18N2O/c1-11-12(8-13-9-17-10-18-13)6-7-15-14(11)4-3-5-16(15)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)
InChIKeyPCOSMFSPURHXTF-UHFFFAOYSA-N
XLogP3.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (CID 12045082) is 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is COc1cccc2c1CCC(Cc1cnc[nH]1)=C2C.
What is the InChIKey of 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The InChIKey is PCOSMFSPURHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-12(8-13-9-17-10-18-13)6-7-15-14(11)4-3-5-16(15)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole has a molecular weight of 254.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 12045082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).