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18107-02-3 | 1H-Benzimidazole, 2-(2-pyrimidinyl)-
CAS No: 18107-02-3 Catalog No: AG0022NX MDL No:
Product Description
Catalog Number:
AG0022NX
Chemical Name:
1H-Benzimidazole, 2-(2-pyrimidinyl)-
CAS Number:
18107-02-3
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
2-pyrimidin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C11H8N4/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10/h1-7H,(H,14,15)
InChI Key:
WTZRQYJHRXQWTK-UHFFFAOYSA-N
SMILES:
c1cnc(nc1)c1nc2c([nH]1)cccc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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