An official website of the United States government

CID 40523452

PubChem CID
40523452
Structure
CID 40523452_small.png
Molecular Formula
Status
Non-live
Molecular Weight
264.4 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 40523452.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-2,2,3-trimethyl-4,5-diphenyl-4H-imidazole

2.1.2 InChI

InChI=1S/C18H20N2/c1-18(2)19-16(14-10-6-4-7-11-14)17(20(18)3)15-12-8-5-9-13-15/h4-13,17H,1-3H3/t17-/m0/s1

2.1.3 InChIKey

JGAPUSUFGRDFFU-KRWDZBQOSA-N

2.1.4 SMILES

CC1(N=C([C@@H](N1C)C2=CC=CC=C2)C3=CC=CC=C3)C

2.2 Molecular Formula

C18H20N2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
264.4 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
264.162648646 g/mol
Property Name
Monoisotopic Mass
Property Value
264.162648646 g/mol
Property Name
Topological Polar Surface Area
Property Value
15.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
360
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS