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83898-30-0 | 1-Piperidinecarboxylicacid, 4-[[1-(phenylmethyl)-1H-benzimidazol-2-yl]amino]-, ethyl ester
CAS No: 83898-30-0 Catalog No: AG004V8X MDL No:
Product Description
Catalog Number:
AG004V8X
Chemical Name:
1-Piperidinecarboxylicacid, 4-[[1-(phenylmethyl)-1H-benzimidazol-2-yl]amino]-, ethyl ester
CAS Number:
83898-30-0
Molecular Formula:
C22H26N4O2
Molecular Weight:
378.4674
IUPAC Name:
ethyl 4-[(1-benzylbenzimidazol-2-yl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)23-21-24-19-10-6-7-11-20(19)26(21)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,24)
InChI Key:
WPQPNOWHQWLFBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)Nc1nc2c(n1Cc1ccccc1)cccc2
EC Number:
281-238-4
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.476g/mol
Monoisotopic Mass:
378.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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