1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole

C14H14N2O — CID 3021557

IUPAC1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H14N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3
InChIKeyCRAMMDHXKKDBIB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.84
Rot. Bonds2

About 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole

1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole (PubChem CID 3021557) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
PubChem CID3021557
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H14N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3
InChIKeyCRAMMDHXKKDBIB-UHFFFAOYSA-N
XLogP2.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole (CID 3021557) is 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole is COc1ccc2c(c1)C=C(n1ccnc1)CC2.
What is the InChIKey of 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The InChIKey is CRAMMDHXKKDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3.
What are the key properties of 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole has a molecular weight of 226.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 3021557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).