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76145-59-0 | 3H-Naphth[1,2-d]imidazole, 3-methyl-2-[4-(1-methylethoxy)phenyl]-
CAS No: 76145-59-0 Catalog No: AG005FFF MDL No:
Product Description
Catalog Number:
AG005FFF
Chemical Name:
3H-Naphth[1,2-d]imidazole, 3-methyl-2-[4-(1-methylethoxy)phenyl]-
CAS Number:
76145-59-0
Molecular Formula:
C21H20N2O
Molecular Weight:
316.3963
IUPAC Name:
3-methyl-2-(4-propan-2-yloxyphenyl)benzo[e]benzimidazole
InChI:
InChI=1S/C21H20N2O/c1-14(2)24-17-11-8-16(9-12-17)21-22-20-18-7-5-4-6-15(18)10-13-19(20)23(21)3/h4-14H,1-3H3
InChI Key:
ZSPLZPFSJRMCHV-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)c1nc2c(n1C)ccc1c2cccc1)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.404g/mol
Monoisotopic Mass:
316.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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