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Home > Imidazoles > 1422059-53-7
1422059-53-7 | 1-((6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)methyl)pyrrolidin-2-one
CAS No: 1422059-53-7 Catalog No: AG01DKIJ MDL No:
Product Description
Catalog Number:
AG01DKIJ
Chemical Name:
1-((6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)methyl)pyrrolidin-2-one
CAS Number:
1422059-53-7
Molecular Formula:
C12H18N4O
Molecular Weight:
234.2975
IUPAC Name:
1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H18N4O/c17-12-2-1-4-16(12)9-10-6-13-7-11-14-3-5-15(11)8-10/h3,5,10,13H,1-2,4,6-9H2
InChI Key:
KKPMVJSPLKPNDE-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CC1CNCc2n(C1)ccn2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.303g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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