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

C14H16N2O — CID 3021564

IUPAC1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1)CC(n1ccnc1)CC2
InChIInChI=1S/C14H16N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyMQSABNQTUJJOKD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds2

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

1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole (PubChem CID 3021564) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole
PubChem CID3021564
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1)CC(n1ccnc1)CC2
InChIInChI=1S/C14H16N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyMQSABNQTUJJOKD-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-
CID 11413434
1-(6-Methoxynaphthalen-2-yl)-1H-imidazole
CID 11514098
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
1-(beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl)-1H-imidazole hydrochloride
CID 11957693
4-Imidazol-1-yl-1-(4-methoxyphenyl)butan-2-ol
CID 20282392
[2-(6-Benzyloxy-naphthalen-2-yl)-2-imidazol-1-yl-1-methyl-ethyl]-dimethyl-amine
CID 44390134
1H-Imidazole, 1-(3,4-dihydro-8-bromo-7-methoxy-2-naphthalenyl)-
CID 3021560
1-[1-[(2-Methoxyphenyl)methyl]-2-(4-phenylphenyl)ethyl]imidazole
CID 510046

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole (CID 3021564) is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole is COc1ccc2c(c1)CC(n1ccnc1)CC2.
What is the InChIKey of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole?
The InChIKey is MQSABNQTUJJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-7,9-10,13H,2,4,8H2,1H3.
What are the key properties of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole?
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole has a molecular weight of 228.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 3021564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).