3542527
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4.6783
4.6783
4.9889
4.3211
6.2619
5.2619
3.732
4.6318
6.7619
3.732
3.3426
6.7619
2.866
7.7619
8.2619
7.7619
6.2619
3.9639
9.2619
2.866
8.2619
6.7619
2
2
9.7619
9.7619
5.5359
5.3715
4.1285
5.9519
5.1787
5.0143
3.2147
2.7359
3.4704
7.2988
7.0719
6.2249
2.866
7.6793
8.3695
8.0719
5.6419
4.4254
3.5498
3.5024
9.8819
2.866
8.8819
6.4519
1.4631
1.4631
10.2988
10.0719
9.2249
9.2249
10.0719
10.2988
0.8726
-0.7369
1.8231
2.5674
0.0679
0.0679
0.5679
3.518
-0.7982
-0.4321
2.3612
0.9339
1.0679
-2.5302
-3.3962
-0.7982
-1.6642
4.2622
-3.3962
-0.9321
-1.6642
-2.5302
0.5679
-0.4321
-4.2622
-2.5302
1.5311
2.311
1.9781
0.6048
3.2259
4.0059
2.9679
2.2334
1.7545
0.6239
1.4708
1.2439
1.6879
-3.6083
-4.0068
-0.2612
-1.6642
4.6763
4.7237
3.8482
-3.3962
-1.5521
-1.6642
-3.0671
0.8779
-0.7421
-2.8402
-1.9933
-2.2202
-4.5723
-4.7992
-3.9522
8
8
8
8
3
3
8
8
8
8
8
8
8
8
8
8
8
8
1
1
2
2
4
5
7
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6
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24
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
412
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371F07B000000000000000000000000000000016000000030600000000000005801F400001C00000000000D08C11F0433D0B70C1000A0032662640082802D2112A009D8203874988868A2C09991942008688002C8C8271080C00EC0000000000000208000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[1-(4-isobutylphenyl)ethyl]-1-(2-methylbutyl)benzimidazole
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(2-methylbutyl)-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(2-methylbutyl)-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(2-methylbutyl)-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[1-(4-isobutylphenyl)ethyl]-1-(2-methylbutyl)benzimidazole
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C24H32N2/c1-6-18(4)16-26-23-10-8-7-9-22(23)25-24(26)19(5)21-13-11-20(12-14-21)15-17(2)3/h7-14,17-19H,6,15-16H2,1-5H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
LZDNQEVIQLDIQR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
6.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
348.256549
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C24H32N2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
348.52428
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(C)CN1C2=CC=CC=C2N=C1C(C)C3=CC=C(C=C3)CC(C)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(C)CN1C2=CC=CC=C2N=C1C(C)C3=CC=C(C=C3)CC(C)C
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
17.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
348.256549
26
2
0
2
0
0
0
0
1
2