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Home > Imidazoles > 88842-31-3
88842-31-3 | 3H-Naphth[1,2-d]imidazole, 3-cyclopropyl-2-(4-methoxyphenyl)-
CAS No: 88842-31-3 Catalog No: AG004BPC MDL No:
Product Description
Catalog Number:
AG004BPC
Chemical Name:
3H-Naphth[1,2-d]imidazole, 3-cyclopropyl-2-(4-methoxyphenyl)-
CAS Number:
88842-31-3
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
3-cyclopropyl-2-(4-methoxyphenyl)benzo[e]benzimidazole
InChI:
InChI=1S/C21H18N2O/c1-24-17-11-6-15(7-12-17)21-22-20-18-5-3-2-4-14(18)8-13-19(20)23(21)16-9-10-16/h2-8,11-13,16H,9-10H2,1H3
InChI Key:
WAXAFYWXWDEWER-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(n1C1CC1)ccc1c2cccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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