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3.3021
3.6681
4.6681
1.403
5.9002
5.0341
4.001
3.501
4.8101
5.7611
6.5043
4.001
4.501
7.4553
3.135
3.192
5.0888
8.1985
3.135
4.6821
9.1495
2.269
4.001
2.269
4.001
3.135
0.5369
4.1681
5.0341
5.47
6.2497
6.7953
6.0157
4.2131
4.6116
7.1642
7.9439
2.923
2.5244
2.6024
5.5195
5.6028
8.4895
7.7099
5.2485
4.4299
4.1157
8.9579
9.7392
9.3411
4.538
1.732
4.538
3.135
0.2269
0
0.8469
6.4371
0.366
1.732
0
6.986
0.866
2.366
9.486
11.0249
10.0738
9.7648
10.4339
8.486
11.0249
10.1249
7.986
10.0738
11.8339
10.794
6.986
12.7474
10.485
6.486
6.486
5.486
5.486
4.986
6.486
0.866
1.366
9.2174
9.3831
10.9814
10.8156
7.9034
8.5937
9.5775
9.7432
8.5686
7.8784
9.8822
11.3879
12.1806
11.3415
11.1757
12.9996
13.3138
12.4953
9.8954
10.2934
11.0747
6.796
5.176
5.176
4.366
7.023
6.176
5.9491
1.176
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0
Compound
Canonicalized
5
2011.06.29
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
381
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B318000000000000000000000000000016000000030000000000000000001C000001F00000800000C0CC19E16379E970C1600A80324F36C0002882D3130A009D8003E58888C6E22C4B91B9430202CC013C8E827B0C0A00E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-pentyl-imidazole;2,2,2-trifluoroacetic acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-pentylimidazole;2,2,2-trifluoroacetic acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-pentylimidazole;2,2,2-trifluoroacetic acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-pentyl-imidazole;2,2,2-tris(fluoranyl)ethanoic acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
5-amyl-4-ethyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H28N2O.C2HF3O2/c1-4-6-7-11-18-17(5-2)20-15-21(18)14-13-16-10-8-9-12-19(16)22-3;3-2(4,5)1(6)7/h8-10,12,15H,4-7,11,13-14H2,1-3H3;(H,6,7)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
GWKMECMXQASUJB-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
414.213027
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C21H29F3N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
414.46177
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCC1=C(N=CN1CCC2=CC=CC=C2OC)CC.C(=O)(C(F)(F)F)O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCC1=C(N=CN1CCC2=CC=CC=C2OC)CC.C(=O)(C(F)(F)F)O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
64.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
414.213027
29
0
0
0
0
0
0
0
2
1