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Home > Imidazoles > 2059999-92-5
2059999-92-5 | 4-(hydroxymethyl)-3-methyl-1-[(pyridin-4-yl)methyl]-2,3-dihydro-1H-imidazol-2-one
CAS No: 2059999-92-5 Catalog No: AG01BPS2 MDL No:MFCD30500567
Product Description
Catalog Number:
AG01BPS2
Chemical Name:
4-(hydroxymethyl)-3-methyl-1-[(pyridin-4-yl)methyl]-2,3-dihydro-1H-imidazol-2-one
CAS Number:
2059999-92-5
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD30500567
IUPAC Name:
4-(hydroxymethyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazol-2-one
InChI:
InChI=1S/C11H13N3O2/c1-13-10(8-15)7-14(11(13)16)6-9-2-4-12-5-3-9/h2-5,7,15H,6,8H2,1H3
InChI Key:
MPVHRPKBDONADM-UHFFFAOYSA-N
SMILES:
OCc1cn(c(=O)n1C)Cc1ccncc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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