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

C22H20Cl2N4O2 — CID 156508771

IUPAC5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)ccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H20Cl2N4O2/c23-15-4-6-19-14(11-15)12-20(30-19)21(29)26-22-25-17-13-16(24)3-5-18(17)28(22)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2,(H,25,26,29)
InChIKeyGARNYJYACIIYQM-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.44
Rot. Bonds5

About 5-chloro-N-[5-chloro-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 (PubChem CID 156508771) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID156508771
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)ccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H20Cl2N4O2/c23-15-4-6-19-14(11-15)12-20(30-19)21(29)26-22-25-17-13-16(24)3-5-18(17)28(22)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2,(H,25,26,29)
InChIKeyGARNYJYACIIYQM-UHFFFAOYSA-N
XLogP5.44
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 156508771) is 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc2cc(Cl)ccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[5-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GARNYJYACIIYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c23-15-4-6-19-14(11-15)12-20(30-19)21(29)26-22-25-17-13-16(24)3-5-18(17)28(22)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2,(H,25,26,29).
What are the key properties of 5-chloro-N-[5-chloro-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 has a molecular weight of 443.33 g/mol, XLogP of 5.44, 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-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 156508771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).