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110073-41-1 | 1H-Benzimidazole, 2-butyl-1-pentyl-
CAS No: 110073-41-1 Catalog No: AG007E1R MDL No:
Product Description
Catalog Number:
AG007E1R
Chemical Name:
1H-Benzimidazole, 2-butyl-1-pentyl-
CAS Number:
110073-41-1
Molecular Formula:
C16H24N2
Molecular Weight:
244.3752
IUPAC Name:
2-butyl-1-pentylbenzimidazole
InChI:
InChI=1S/C16H24N2/c1-3-5-9-13-18-15-11-8-7-10-14(15)17-16(18)12-6-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3
InChI Key:
QODZGYIRMUIBIT-UHFFFAOYSA-N
SMILES:
CCCCCn1c(CCCC)nc2c1cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.382g/mol
Monoisotopic Mass:
244.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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