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83898-35-5 | 2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethenyl)-3-[3-[(phenylmethyl)amino]propyl]-
CAS No: 83898-35-5 Catalog No: AG004RFR MDL No:
Product Description
Catalog Number:
AG004RFR
Chemical Name:
2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethenyl)-3-[3-[(phenylmethyl)amino]propyl]-
CAS Number:
83898-35-5
Molecular Formula:
C20H23N3O
Molecular Weight:
321.4161
IUPAC Name:
1-(4-amino-4-phenylbutyl)-3-prop-1-en-2-ylbenzimidazol-2-one
InChI:
InChI=1S/C20H23N3O/c1-15(2)23-19-13-7-6-12-18(19)22(20(23)24)14-8-11-17(21)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,1,8,11,14,21H2,2H3
InChI Key:
JLZYPFPKGDVGJZ-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CCCn1c2ccccc2n(c1=O)C(=C)C
EC Number:
281-244-7
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.424g/mol
Monoisotopic Mass:
321.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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