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Home > Imidazoles > 2147-85-5
2147-85-5 | 1-Methyl-3-(piperidin-4-yl);-1H-benzo[d]imidazol-2(3H);-one hydrochloride
CAS No: 2147-85-5 Catalog No: AG007166 MDL No:MFCD20492591
Product Description
Catalog Number:
AG007166
Chemical Name:
1-Methyl-3-(piperidin-4-yl);-1H-benzo[d]imidazol-2(3H);-one hydrochloride
CAS Number:
2147-85-5
Molecular Formula:
C13H18ClN3O
Molecular Weight:
267.7545
MDL Number:
MFCD20492591
IUPAC Name:
1-methyl-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
InChI:
InChI=1S/C13H17N3O.ClH/c1-15-11-4-2-3-5-12(11)16(13(15)17)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3;1H
InChI Key:
REYXMOCQVHYUQQ-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(c2c1cccc2)C1CCNCC1.Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.757g/mol
Monoisotopic Mass:
267.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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