53383517
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255
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4.2088
4.1043
5.9409
4.9718
4.1671
5.9409
5.9409
6.8069
5.0749
6.8069
5.0749
6.8069
6.8069
4
3.5
5.0749
7.7009
7.7009
3.5
4.2088
2.5
8.6069
8.6069
2.5
2
3.2953
2.6262
3.1262
6.4778
7.4175
7.019
5.4333
6.1869
6.8069
7.4269
7.6937
7.6937
3.81
2.19
9.1427
9.1427
2.19
1.38
3.1664
2.0096
2.874
0.1808
3.1753
0.1808
-2.308
-0.9141
2.1808
-0.8192
-1.3192
-1.3192
0.6808
0.6808
1.6808
-2.3192
-2.5172
-1.6511
1.6808
0.1461
2.2154
-3.3832
2.1808
-1.6511
0.6599
1.7016
-3.3832
-2.5172
1.774
2.5172
3.3832
-0.5092
-1.4269
-0.7366
-2.722
-2.3192
-2.9392
-2.3192
-0.4739
2.8354
-3.9201
-1.1142
0.3479
2.0136
-3.9201
-2.5172
1.1676
2.4524
3.9496
8
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2
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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
624
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
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
00000371E07BB00000000000000000000000000000016240000030608000000000005881FC00001E0010000000082CE1970633D4B7C99440A801AF72F40482882DA532A00999213E7CD88C6EBECCBD9B963928EEF613C8E9A79848000000000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furyl)quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furanyl)-2-quinoxalinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furyl)quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C22H18N4O2/c1-2-17(21-24-14-8-3-4-9-15(14)25-21)26-18-11-6-5-10-16(18)23-20(22(26)27)19-12-7-13-28-19/h3-13,17H,2H2,1H3,(H,24,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
NHWIYXNGWYWBAJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
370.142976
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C22H18N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
370.40392
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
74.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
370.142976
28
1
0
1
0
0
0
0
1
1