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

C67H64Cl4N12O6 — CID 157304168

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-2-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(Nc1nc2ccccc2n1CCC1CCCN1)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(20-14-15-6-1-4-10-19(15)28-20)25-22-24-17-8-2-3-9-18(17)26(22)13-11-16-7-5-12-23-16/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);1-4,6,8-10,14,16,23H,5,7,11-13H2,(H,24,25,27)
InChIKeyBCGDZRGPBYKXKY-UHFFFAOYSA-N
MW1275.14 g/mol
LogP15.44
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-2-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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 157304168) 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-2-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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID157304168
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-2-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(Nc1nc2ccccc2n1CCC1CCCN1)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(20-14-15-6-1-4-10-19(15)28-20)25-22-24-17-8-2-3-9-18(17)26(22)13-11-16-7-5-12-23-16/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);1-4,6,8-10,14,16,23H,5,7,11-13H2,(H,24,25,27)
InChIKeyBCGDZRGPBYKXKY-UHFFFAOYSA-N
XLogP15.44
TPSA198.69 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.14
LogP ≤ 515.44
H-Bond Donors ≤ 54
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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

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
tert-butyl N-[2-[5-[5-chloro-3-[ethoxycarbonyl(3-methoxypropyl)amino]-1-benzofuran-2-carbonyl]-2-(methylamino)anilino]-2-oxoethyl]-N-ethylcarbamate;8-chloro-4-[2-(ethylaminomethyl)-1-methylbenzimidazol-5-yl]-1-(3-methoxypropyl)-[1]benzofuro[3,2-d]pyrimidin-2-one;ethyl N-[5-chloro-2-[2-(ethylaminomethyl)-1-methylbenzimidazole-5-carbonyl]-1-benzofuran-3-yl]-N-(3-methoxypropyl)carbamate
CID 157178202
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
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
5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 158815548
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

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-2-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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 157304168) 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-2-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-2-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-2-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(Nc1nc2ccccc2n1CCC1CCCN1)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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BCGDZRGPBYKXKY-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(20-14-15-6-1-4-10-19(15)28-20)25-22-24-17-8-2-3-9-18(17)26(22)13-11-16-7-5-12-23-16/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);1-4,6,8-10,14,16,23H,5,7,11-13H2,(H,24,25,27).
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-2-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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 1275.14 g/mol, XLogP of 15.44, 15 rotatable bonds, 4 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-2-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 157304168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).