5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile

C93H104BrN17O9 — CID 159371285

IUPAC5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile
SMILESC.N#Cc1ccc2[nH]cc(CCCCCOO)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCCCO)c2c1.NC(=O)c1cc2cc(Br)ccc2o1.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C26H27N5O2.C17H22N4.C14H16N2O2.C13H15N3O2.C13H14N2O.C9H6BrNO2.CH4/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;18-12-14-4-5-17-16(11-14)15(13-20-17)3-1-2-8-21-9-6-19-7-10-21;15-9-11-5-6-14-13(8-11)12(10-16-14)4-2-1-3-7-18-17;14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16;10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-6,8,10,16-17H,1-4,7H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);1H4
InChIKeyLJTWIZFMXNGBKY-UHFFFAOYSA-N
MW1683.87 g/mol
LogP15.77
Rot. Bonds25

About 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile

5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile (PubChem CID 159371285) has the molecular formula C93H104BrN17O9 and a molecular weight of 1683.87 g/mol. Its IUPAC name is 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile
PubChem CID159371285
Molecular FormulaC93H104BrN17O9
Molecular Weight1683.87 g/mol
Exact Mass1681.74
IUPAC Name5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile
SMILESC.N#Cc1ccc2[nH]cc(CCCCCOO)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCCCO)c2c1.NC(=O)c1cc2cc(Br)ccc2o1.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C26H27N5O2.C17H22N4.C14H16N2O2.C13H15N3O2.C13H14N2O.C9H6BrNO2.CH4/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;18-12-14-4-5-17-16(11-14)15(13-20-17)3-1-2-8-21-9-6-19-7-10-21;15-9-11-5-6-14-13(8-11)12(10-16-14)4-2-1-3-7-18-17;14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16;10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-6,8,10,16-17H,1-4,7H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);1H4
InChIKeyLJTWIZFMXNGBKY-UHFFFAOYSA-N
XLogP15.77
TPSA413.72 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001683.87
LogP ≤ 515.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-ium chloride methanol monosolvate
CID 139088219
Vilazodone metabolite M11
CID 138320015
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;oxolane;hydrochloride
CID 10143949
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;methanol;hydrochloride
CID 69088949
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 69418586
N-(4-bromobenzoyl)-N-(4-bromophenyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092229
N-(4-bromobenzoyl)-3-(4-bromophenyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092230
N-(4-bromobenzoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092354
5-[4-[4-[1-(4-Bromobenzoyl)-5-cyanoindol-3-yl]butyl]piperazin-1-yl]-3-(4-bromophenyl)-1-benzofuran-2-carboxamide
CID 71092371
5-[4-[1,4-bis(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 89726112
5-[4-[1,4-bis(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 89726113
Vilazodone Impurity 27
CID 117741860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile?
The IUPAC name of 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile (CID 159371285) is 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile is C.N#Cc1ccc2[nH]cc(CCCCCOO)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCCCO)c2c1.NC(=O)c1cc2cc(Br)ccc2o1.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1.
What is the InChIKey of 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile?
The InChIKey is LJTWIZFMXNGBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.C17H22N4.C14H16N2O2.C13H15N3O2.C13H14N2O.C9H6BrNO2.CH4/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;18-12-14-4-5-17-16(11-14)15(13-20-17)3-1-2-8-21-9-6-19-7-10-21;15-9-11-5-6-14-13(8-11)12(10-16-14)4-2-1-3-7-18-17;14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16;10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-6,8,10,16-17H,1-4,7H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);1H4.
What are the key properties of 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile?
5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile has a molecular weight of 1683.87 g/mol, XLogP of 15.77, 25 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(5-hydroperoxypentyl)-1H-indole-5-carbonitrile;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 159371285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).