7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C14H14N2O2 — CID 3021563

IUPAC7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(n1ccnc1)CC2
InChIInChI=1S/C14H14N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-7,9,13H,3-4,8H2,(H,17,18)
InChIKeyGUKVLMZCPBRAEG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds2

About 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 3021563) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID3021563
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(n1ccnc1)CC2
InChIInChI=1S/C14H14N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-7,9,13H,3-4,8H2,(H,17,18)
InChIKeyGUKVLMZCPBRAEG-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 3021563) is 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC(n1ccnc1)CC2.
What is the InChIKey of 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is GUKVLMZCPBRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-7,9,13H,3-4,8H2,(H,17,18).
What are the key properties of 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 3021563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).