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824395-47-3 | 1H-Benzimidazol-5-amine, 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-
CAS No: 824395-47-3 Catalog No: AG0051KX MDL No:
Product Description
Catalog Number:
AG0051KX
Chemical Name:
1H-Benzimidazol-5-amine, 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-
CAS Number:
824395-47-3
Molecular Formula:
C16H15N5
Molecular Weight:
277.3238
IUPAC Name:
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
InChI:
InChI=1S/C16H15N5/c17-10-5-6-13-14(9-10)21-16(20-13)12-4-2-1-3-11(12)15-18-7-8-19-15/h1-6,9H,7-8,17H2,(H,18,19)(H,20,21)
InChI Key:
WIQHLDPJKVNBJI-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc([nH]2)c1ccccc1C1=NCCN1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.331g/mol
Monoisotopic Mass:
277.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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