3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid

C14H12N2O2 — CID 67933353

IUPAC3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CC(n2ccnc2)=Cc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-14(18)13-8-11(16-6-5-15-9-16)7-10-3-1-2-4-12(10)13/h1-7,9,13H,8H2,(H,17,18)
InChIKeyHHNILBZPFIPTAZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.45
Rot. Bonds2

About 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid

3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid (PubChem CID 67933353) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid
PubChem CID67933353
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CC(n2ccnc2)=Cc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-14(18)13-8-11(16-6-5-15-9-16)7-10-3-1-2-4-12(10)13/h1-7,9,13H,8H2,(H,17,18)
InChIKeyHHNILBZPFIPTAZ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid (CID 67933353) is 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid is O=C(O)C1CC(n2ccnc2)=Cc2ccccc21.
What is the InChIKey of 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid?
The InChIKey is HHNILBZPFIPTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)13-8-11(16-6-5-15-9-16)7-10-3-1-2-4-12(10)13/h1-7,9,13H,8H2,(H,17,18).
What are the key properties of 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid?
3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1,2-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 67933353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).