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24893-44-5 | 1H-Benzimidazole, 2-(1-phenylpropyl)-
CAS No: 24893-44-5 Catalog No: AG00I4RC MDL No:MFCD01309820
Product Description
Catalog Number:
AG00I4RC
Chemical Name:
1H-Benzimidazole, 2-(1-phenylpropyl)-
CAS Number:
24893-44-5
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
MDL Number:
MFCD01309820
IUPAC Name:
2-(1-phenylpropyl)-1H-benzimidazole
InChI:
InChI=1S/C16H16N2/c1-2-13(12-8-4-3-5-9-12)16-17-14-10-6-7-11-15(14)18-16/h3-11,13H,2H2,1H3,(H,17,18)
InChI Key:
NDXNZXLZPKHWHB-UHFFFAOYSA-N
SMILES:
CCC(c1nc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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