6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C15H16N2O2 — CID 18914709

IUPAC6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(Cc1ncc[nH]1)C2
InChIInChI=1S/C15H16N2O2/c18-15(19)13-4-3-11-7-10(1-2-12(11)9-13)8-14-16-5-6-17-14/h3-6,9-10H,1-2,7-8H2,(H,16,17)(H,18,19)
InChIKeyIUTBPRQHFTXNIR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.46
Rot. Bonds3

About 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 18914709) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID18914709
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(Cc1ncc[nH]1)C2
InChIInChI=1S/C15H16N2O2/c18-15(19)13-4-3-11-7-10(1-2-12(11)9-13)8-14-16-5-6-17-14/h3-6,9-10H,1-2,7-8H2,(H,16,17)(H,18,19)
InChIKeyIUTBPRQHFTXNIR-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 18914709) is 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(Cc1ncc[nH]1)C2.
What is the InChIKey of 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is IUTBPRQHFTXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)13-4-3-11-7-10(1-2-12(11)9-13)8-14-16-5-6-17-14/h3-6,9-10H,1-2,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 18914709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).