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

C15H16N2O3 — CID 19794098

IUPAC3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)C(n1cncc1C(=O)O)CCC2
InChIInChI=1S/C15H16N2O3/c1-20-11-6-5-10-3-2-4-13(12(10)7-11)17-9-16-8-14(17)15(18)19/h5-9,13H,2-4H2,1H3,(H,18,19)
InChIKeyNXIYNKCNLLUEFE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds3

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

3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid (PubChem CID 19794098) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid
PubChem CID19794098
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)C(n1cncc1C(=O)O)CCC2
InChIInChI=1S/C15H16N2O3/c1-20-11-6-5-10-3-2-4-13(12(10)7-11)17-9-16-8-14(17)15(18)19/h5-9,13H,2-4H2,1H3,(H,18,19)
InChIKeyNXIYNKCNLLUEFE-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid (CID 19794098) is 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid is COc1ccc2c(c1)C(n1cncc1C(=O)O)CCC2.
What is the InChIKey of 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid?
The InChIKey is NXIYNKCNLLUEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-11-6-5-10-3-2-4-13(12(10)7-11)17-9-16-8-14(17)15(18)19/h5-9,13H,2-4H2,1H3,(H,18,19).
What are the key properties of 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid?
3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 19794098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).