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681821-53-4 | 1H-Imidazole, 2-(cyclohexyl-3-thienylmethyl)-4,5-dihydro-
CAS No: 681821-53-4 Catalog No: AG005LXG MDL No:
Product Description
Catalog Number:
AG005LXG
Chemical Name:
1H-Imidazole, 2-(cyclohexyl-3-thienylmethyl)-4,5-dihydro-
CAS Number:
681821-53-4
Molecular Formula:
C14H20N2S
Molecular Weight:
248.3870
IUPAC Name:
2-[cyclohexyl(thiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C14H20N2S/c1-2-4-11(5-3-1)13(12-6-9-17-10-12)14-15-7-8-16-14/h6,9-11,13H,1-5,7-8H2,(H,15,16)
InChI Key:
XHSHPURENAXGEC-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)C(c1cscc1)C1=NCCN1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.135g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.388g/mol
Monoisotopic Mass:
248.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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