Cas no 647850-97-3 (1H-Imidazole-2-carboxylic acid, 1-(1-naphthalenylmethyl)-)

1H-Imidazole-2-carboxylic acid, 1-(1-naphthalenylmethyl)- structure
647850-97-3 structure
Product Name:1H-Imidazole-2-carboxylic acid, 1-(1-naphthalenylmethyl)-
CAS No:647850-97-3
MF:C15H12N2O2
MW:252.267983436584
CID:416334
PubChem ID:71378665
Update Time:2025-04-19

1H-Imidazole-2-carboxylic acid, 1-(1-naphthalenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-2-carboxylic acid, 1-(1-naphthalenylmethyl)-
    • 1-(naphthalen-1-ylmethyl)imidazole-2-carboxylic acid
    • 1-[(Naphthalen-1-yl)methyl]-1H-imidazole-2-carboxylic acid
    • DTXSID80801274
    • 647850-97-3
    • Inchi: 1S/C15H12N2O2/c18-15(19)14-16-8-9-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,18,19)
    • InChI Key: IEUVUEUOVFEVEL-UHFFFAOYSA-N
    • SMILES: OC(C1=NC=CN1CC1=CC=CC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 252.08996
  • Monoisotopic Mass: 252.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 334
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12
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