Home Nitriles 1H-Benzimidazole-5-carbonitrile,2-amino-1-methyl-(9CI)

1H-Benzimidazole-5-carbonitrile,2-amino-1-methyl-(9CI)

CAS No.:
141691-41-0
Catalog Number:
AG00AH34
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
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Product Description
Catalog Number:
AG00AH34
Chemical Name:
1H-Benzimidazole-5-carbonitrile,2-amino-1-methyl-(9CI)
CAS Number:
141691-41-0
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD01658320
IUPAC Name:
2-amino-1-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-13-8-3-2-6(5-10)4-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChI Key:
VWOBVMUYALAJKO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2C)N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties