2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid

C14H12N2O2 — CID 70504113

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C2=NCCN2)ccc2ccccc12
InChIInChI=1S/C14H12N2O2/c17-14(18)12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeySWHURAYTOGIPRY-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.89
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid

2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid (PubChem CID 70504113) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
PubChem CID70504113
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C2=NCCN2)ccc2ccccc12
InChIInChI=1S/C14H12N2O2/c17-14(18)12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeySWHURAYTOGIPRY-UHFFFAOYSA-N
XLogP1.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid (CID 70504113) is 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid is O=C(O)c1c(C2=NCCN2)ccc2ccccc12.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid?
The InChIKey is SWHURAYTOGIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid?
2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 70504113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).