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21035-25-6 | Urea, N-1H-benzimidazol-2-yl-N'-methyl-
CAS No: 21035-25-6 Catalog No: AG002KQA MDL No:
Product Description
Catalog Number:
AG002KQA
Chemical Name:
Urea, N-1H-benzimidazol-2-yl-N'-methyl-
CAS Number:
21035-25-6
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
IUPAC Name:
1-(1H-benzimidazol-2-yl)-3-methylurea
InChI:
InChI=1S/C9H10N4O/c1-10-9(14)13-8-11-6-4-2-3-5-7(6)12-8/h2-5H,1H3,(H3,10,11,12,13,14)
InChI Key:
NLWPIMXWKFZVJT-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1nc2c([nH]1)cccc2
NSC Number:
78509
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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