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99206-53-8 | 2-(1-ETHYLPENTYL) BENZO[D]IMIDAZOLE
CAS No: 99206-53-8 Catalog No: AG006OR4 MDL No:
Product Description
Catalog Number:
AG006OR4
Chemical Name:
2-(1-ETHYLPENTYL) BENZO[D]IMIDAZOLE
CAS Number:
99206-53-8
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
2-heptan-3-yl-1H-benzimidazole
InChI:
InChI=1S/C14H20N2/c1-3-5-8-11(4-2)14-15-12-9-6-7-10-13(12)16-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,16)
InChI Key:
VSMPBJCKGWINIB-UHFFFAOYSA-N
SMILES:
CCCCC(c1nc2c([nH]1)cccc2)CC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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