53383495
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4.2088
4.1043
5.9409
4.9718
4.1671
5.9409
7.673
5.9409
5.0749
6.8069
6.8069
5.0749
6.8069
4
3.5
5.0749
7.7009
6.8069
7.7009
3.5
4.2088
2.5
8.6069
8.6069
7.673
2.5
2
8.539
8.539
3.2953
2.6262
3.1262
6.4778
5.4333
7.6937
6.27
7.6937
3.81
2.19
9.1427
9.1427
7.673
2.19
1.38
9.0759
9.0759
3.1664
2.0096
2.874
0.1808
3.1753
0.1808
-2.308
-0.9141
2.1808
-0.8192
-0.8192
-1.3192
0.6808
-1.3192
0.6808
1.6808
-2.5172
-1.6511
1.6808
0.1461
-2.3192
2.2154
-3.3832
2.1808
-1.6511
0.6599
1.7016
-2.8192
-3.3832
-2.5172
-1.3192
-2.3192
1.774
2.5172
3.3832
-0.5092
-2.722
-0.4739
-2.6292
2.8354
-3.9201
-1.1142
0.3479
2.0136
-3.4392
-3.9201
-2.5172
-1.0092
-2.6292
1.1676
2.4524
3.9496
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
729
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000001624000003C608100000000005881FE00001E0010000000082CE197063DD4B7C99440A801BF77F40482882DB532A009D9213E7CD88C6EFECCFD9B963928EEF613C8E9A798C8000000000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(2-pyridyl)methyl]-3-(2-furyl)quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(2-pyridinyl)methyl]-3-(2-furanyl)-2-quinoxalinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(2-pyridyl)methyl]-3-(2-furyl)quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C25H17N5O2/c31-25-22(21-13-7-15-32-21)27-18-10-3-4-12-20(18)30(25)23(19-11-5-6-14-26-19)24-28-16-8-1-2-9-17(16)29-24/h1-15,23H,(H,28,29)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
NWGQGFXWBSXSGK-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
419.138225
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C25H17N5O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
419.43478
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)NC(=N2)C(C3=CC=CC=N3)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)NC(=N2)C(C3=CC=CC=N3)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
87.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
419.138225
32
1
0
1
0
0
0
0
1
1