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114543-60-1 | 1H-Benzimidazole, 2,2'-(1,4-phenylene)bis[2,3-dihydro-1,2,3-trimethyl-
CAS No: 114543-60-1 Catalog No: AG000ENF MDL No:
Product Description
Catalog Number:
AG000ENF
Chemical Name:
1H-Benzimidazole, 2,2'-(1,4-phenylene)bis[2,3-dihydro-1,2,3-trimethyl-
CAS Number:
114543-60-1
Molecular Formula:
C26H30N4
Molecular Weight:
398.5432
IUPAC Name:
1,2,3-trimethyl-2-[4-(1,2,3-trimethylbenzimidazol-2-yl)phenyl]benzimidazole
InChI:
InChI=1S/C26H30N4/c1-25(27(3)21-11-7-8-12-22(21)28(25)4)19-15-17-20(18-16-19)26(2)29(5)23-13-9-10-14-24(23)30(26)6/h7-18H,1-6H3
InChI Key:
PLMXUIQSYOLYMA-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2N(C1(C)c1ccc(cc1)C1(C)N(C)c2c(N1C)cccc2)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.247g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.554g/mol
Monoisotopic Mass:
398.247g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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