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

C126H158BrClN22O10 — CID 158705169

IUPAC5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride
SMILESC.C.C.C.C.C.C.C.Cl.N#Cc1ccc2[nH]cc(CCCCC=O)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)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/2C26H27N5O2.C17H22N4.C14H14N2O.C13H15N3O2.C13H14N2O.C9H6BrNO2.8CH4.ClH/c2*27-16-18-4-6-23-22(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)4-2-1-3-7-17;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;;;;;;;;;/h2*4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-8,10,16H,1-4H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);8*1H4;1H
InChIKeyNWLFTYBAPCVIMY-UHFFFAOYSA-N
MW2256.15 g/mol
LogP24.38
Rot. Bonds31

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

5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride (PubChem CID 158705169) has the molecular formula C126H158BrClN22O10 and a molecular weight of 2256.15 g/mol. Its IUPAC name is 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride
PubChem CID158705169
Molecular FormulaC126H158BrClN22O10
Molecular Weight2256.15 g/mol
Exact Mass2253.14
IUPAC Name5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride
SMILESC.C.C.C.C.C.C.C.Cl.N#Cc1ccc2[nH]cc(CCCCC=O)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)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/2C26H27N5O2.C17H22N4.C14H14N2O.C13H15N3O2.C13H14N2O.C9H6BrNO2.8CH4.ClH/c2*27-16-18-4-6-23-22(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)4-2-1-3-7-17;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;;;;;;;;;/h2*4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-8,10,16H,1-4H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);8*1H4;1H
InChIKeyNWLFTYBAPCVIMY-UHFFFAOYSA-N
XLogP24.38
TPSA503.62 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002256.15
LogP ≤ 524.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

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
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157377717
CID 157576136
CID 157576136
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;molecular iodine;hydroiodide
CID 157680405
CID 157781384
CID 157781384
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157837977
5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;3-(5-oxopentyl)-1H-indole-5-carbonitrile;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile
CID 157937543
6-bromo-N-(2-piperidin-1-ylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1-benzofuran-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)furan-2-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 158038221
3-(4-chlorobutyl)-1H-indole-5-carbonitrile;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 158556141
5-bromo-1-benzofuran-2-carboxamide;5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile
CID 158699737
[3-[4-[4-(2-carbamoyl-1-benzofuran-5-yl)piperazin-1-yl]butyl]-5-cyano-1H-indol-6-yl] methanesulfonate;5-[4-[4-(5-cyano-6-hydroxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 158910293
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride?
The IUPAC name of 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride (CID 158705169) is 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride?
The canonical SMILES for 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride is C.C.C.C.C.C.C.C.Cl.N#Cc1ccc2[nH]cc(CCCCC=O)c2c1.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)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;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride?
The InChIKey is NWLFTYBAPCVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27N5O2.C17H22N4.C14H14N2O.C13H15N3O2.C13H14N2O.C9H6BrNO2.8CH4.ClH/c2*27-16-18-4-6-23-22(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)4-2-1-3-7-17;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;;;;;;;;;/h2*4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);4-5,11,13,19-20H,1-3,6-10H2;5-8,10,16H,1-4H2;1-2,7-8,15H,3-6H2,(H2,14,17);4-5,7,9,15-16H,1-3,6H2;1-4H,(H2,11,12);8*1H4;1H.
What are the key properties of 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride?
5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride has a molecular weight of 2256.15 g/mol, XLogP of 24.38, 31 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzofuran-2-carboxamide;bis(5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide);3-(4-hydroxybutyl)-1H-indole-5-carbonitrile;methane;3-(5-oxopentyl)-1H-indole-5-carbonitrile;5-piperazin-1-yl-1-benzofuran-2-carboxamide;3-(4-piperazin-1-ylbutyl)-1H-indole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 158705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).