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1368465-84-2 | 1H-Benzimidazole-5-carbonitrile, 2-methyl-1-(1-methylethyl)-
CAS No: 1368465-84-2 Catalog No: AG0012GL MDL No:MFCD20882008
Product Description
Catalog Number:
AG0012GL
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 2-methyl-1-(1-methylethyl)-
CAS Number:
1368465-84-2
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD20882008
IUPAC Name:
2-methyl-1-propan-2-ylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C12H13N3/c1-8(2)15-9(3)14-11-6-10(7-13)4-5-12(11)15/h4-6,8H,1-3H3
InChI Key:
BOHCWBBJHYXQJQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2C(C)C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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