60210723
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
3
3
3
4
4
5
5
6
7
7
8
8
9
9
10
10
11
12
12
13
13
14
14
15
15
16
17
3
11
6
11
4
5
6
7
9
8
10
18
12
19
13
20
14
21
15
22
23
17
24
16
25
17
26
16
27
29
28
1
2
2
1
1
1
1
2
1
2
1
1
1
1
1
1
2
1
2
1
1
2
1
2
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
5.9344
5.4344
4.9344
4.9344
3.9563
4.6254
4.0684
3.6473
5.8005
3.2872
6.2434
4.0684
2.6691
5.8005
2.309
2
4.9344
4.0358
3.5315
4.0621
6.3374
3.4788
6.8331
3.5315
2.4775
6.3374
1.8941
4.9344
1.3936
0.7306
2.2694
0.7306
-0.2694
0.9386
1.6816
-0.7694
1.8896
-0.7694
0.1953
1.6816
-1.7694
2.0975
-1.7694
0.4033
1.3544
-2.2694
1.8732
-0.4594
2.3503
-0.4594
-0.3943
1.8732
-2.0794
2.6871
-2.0794
-0.0575
-2.8894
1.4833
8
8
8
8
8
8
8
8
8
8
8
8
4
4
5
5
7
8
9
10
12
13
14
15
7
9
8
10
12
13
14
15
17
16
17
16
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
289
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C0730000000000000000000000000000000100000000306000000000000000014000001C00000000000C88C11804310082000000A002306324008200012000000888002004880820228091118020006080000888071080C00E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
4,4-diphenylimidazole
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
4,4-diphenylimidazole
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
4,4-diphenylimidazole
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
4,4-diphenylimidazole
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
4,4-diphenylimidazole
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15(11-16-12-17-15)14-9-5-2-6-10-14/h1-12H
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
DEKUCXKLJFRKMM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
220.100048
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C15H12N2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
220.26918
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
24.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
220.100048
17
0
0
0
0
0
0
0
1
1