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68942-42-7 | Methanone, (2-amino-1H-benzimidazol-5-yl)cyclopropyl-
CAS No: 68942-42-7 Catalog No: AG005MYZ MDL No:
Product Description
Catalog Number:
AG005MYZ
Chemical Name:
Methanone, (2-amino-1H-benzimidazol-5-yl)cyclopropyl-
CAS Number:
68942-42-7
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
(2-amino-3H-benzimidazol-5-yl)-cyclopropylmethanone
InChI:
InChI=1S/C11H11N3O/c12-11-13-8-4-3-7(5-9(8)14-11)10(15)6-1-2-6/h3-6H,1-2H2,(H3,12,13,14)
InChI Key:
JLGNWFIRVFQCCZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)nc([nH]2)N)C1CC1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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