5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide

C67H64Cl4N12O6 — CID 157469958

IUPAC5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21.O=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C23H23ClN4O2.C22H19Cl3N4O2.C22H22N4O2/c1-27-11-4-5-17(27)10-12-28-19-7-3-2-6-18(19)25-23(28)26-22(29)21-14-15-13-16(24)8-9-20(15)30-21;23-14-3-4-19-13(9-14)10-20(31-19)21(30)27-22-26-17-11-15(24)16(25)12-18(17)29(22)8-7-28-5-1-2-6-28;27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29);3-4,9-12H,1-2,5-8H2,(H,26,27,30);1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
InChIKeyBUXMCNSJEMHIAJ-UHFFFAOYSA-N
MW1275.14 g/mol
LogP15.39
Rot. Bonds15

About 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 157469958) has the molecular formula C67H64Cl4N12O6 and a molecular weight of 1275.14 g/mol. Its IUPAC name is 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID157469958
Molecular FormulaC67H64Cl4N12O6
Molecular Weight1275.14 g/mol
Exact Mass1272.38
IUPAC Name5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21.O=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C23H23ClN4O2.C22H19Cl3N4O2.C22H22N4O2/c1-27-11-4-5-17(27)10-12-28-19-7-3-2-6-18(19)25-23(28)26-22(29)21-14-15-13-16(24)8-9-20(15)30-21;23-14-3-4-19-13(9-14)10-20(31-19)21(30)27-22-26-17-11-15(24)16(25)12-18(17)29(22)8-7-28-5-1-2-6-28;27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29);3-4,9-12H,1-2,5-8H2,(H,26,27,30);1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
InChIKeyBUXMCNSJEMHIAJ-UHFFFAOYSA-N
XLogP15.39
TPSA189.90 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.14
LogP ≤ 515.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2-(1-Benzofuran-2-carbonylamino)-1-[4-[2-(1-benzofuran-2-carbonylamino)-5-carbamoylbenzimidazol-1-yl]butyl]benzimidazole-5-carboxamide
CID 165146894
5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 146251281
5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 146251404
5-chloro-6-[[2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]methyl]-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 146251405
5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 146251408
5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 156508770
5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 156508771
5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 157304168
5-bromo-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
CID 157556921
6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 159095910
potassium;1H-benzimidazol-2-amine;bis(5-chloro-1-benzofuran-2-carbonyl chloride);5-chloro-1,3-benzoxazole-2-carboxylic acid;1-(2-chloroethyl)pyrrolidine;5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N,N-diethylethanamine;methane;bis(1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine);thionyl dichloride;hydroxide
CID 159246483
3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide
CID 159431192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 157469958) is 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is CN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21.O=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BUXMCNSJEMHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2.C22H19Cl3N4O2.C22H22N4O2/c1-27-11-4-5-17(27)10-12-28-19-7-3-2-6-18(19)25-23(28)26-22(29)21-14-15-13-16(24)8-9-20(15)30-21;23-14-3-4-19-13(9-14)10-20(31-19)21(30)27-22-26-17-11-15(24)16(25)12-18(17)29(22)8-7-28-5-1-2-6-28;27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29);3-4,9-12H,1-2,5-8H2,(H,26,27,30);1-4,7-10,15H,5-6,11-14H2,(H,23,24,27).
What are the key properties of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 1275.14 g/mol, XLogP of 15.39, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide;5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide;N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 157469958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).