200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88696-09-7
88696-09-7 | Methanone, 1H-benzimidazol-2-yl[4-(1,1-dimethylethyl)phenyl]-
CAS No: 88696-09-7 Catalog No: AG0046EO MDL No:
Product Description
Catalog Number:
AG0046EO
Chemical Name:
Methanone, 1H-benzimidazol-2-yl[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
88696-09-7
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
IUPAC Name:
1H-benzimidazol-2-yl-(4-tert-butylphenyl)methanone
InChI:
InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16(21)17-19-14-6-4-5-7-15(14)20-17/h4-11H,1-3H3,(H,19,20)
InChI Key:
BTQUOJYVXPEFMX-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.