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

C22H19Cl3N4O2 — CID 146251408

IUPAC5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H19Cl3N4O2/c23-14-3-4-19-13(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/h3-4,9-12H,1-2,5-8H2,(H,26,27,30)
InChIKeyJTYIPKRZKZDFEW-UHFFFAOYSA-N
MW477.78 g/mol
LogP6.09
Rot. Bonds5

About 5-chloro-N-[5,6-dichloro-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 (PubChem CID 146251408) has the molecular formula C22H19Cl3N4O2 and a molecular weight of 477.78 g/mol. Its IUPAC name is 5-chloro-N-[5,6-dichloro-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
PubChem CID146251408
Molecular FormulaC22H19Cl3N4O2
Molecular Weight477.78 g/mol
Exact Mass476.06
IUPAC Name5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H19Cl3N4O2/c23-14-3-4-19-13(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/h3-4,9-12H,1-2,5-8H2,(H,26,27,30)
InChIKeyJTYIPKRZKZDFEW-UHFFFAOYSA-N
XLogP6.09
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 146251408) is 5-chloro-N-[5,6-dichloro-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?
The canonical SMILES for 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc2cc(Cl)c(Cl)cc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is JTYIPKRZKZDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O2/c23-14-3-4-19-13(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/h3-4,9-12H,1-2,5-8H2,(H,26,27,30).
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-[5,6-dichloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 477.78 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 146251408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).