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1215206-71-5 | 1H-Benzimidazole-5-carbonitrile, 1-cyclohexyl-
CAS No: 1215206-71-5 Catalog No: AG00158E MDL No:MFCD15143577
Product Description
Catalog Number:
AG00158E
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 1-cyclohexyl-
CAS Number:
1215206-71-5
Molecular Formula:
C14H15N3
Molecular Weight:
225.2890
MDL Number:
MFCD15143577
IUPAC Name:
1-cyclohexylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C14H15N3/c15-9-11-6-7-14-13(8-11)16-10-17(14)12-4-2-1-3-5-12/h6-8,10,12H,1-5H2
InChI Key:
DURWCXWCURBKLM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncn2C1CCCCC1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.295g/mol
Monoisotopic Mass:
225.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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