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

C23H23ClN4O2 — CID 156508770

IUPAC5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(c1)nc(NC(=O)c1cc3cc(Cl)ccc3o1)n2CCN1CCCC1
InChIInChI=1S/C23H23ClN4O2/c1-15-4-6-19-18(12-15)25-23(28(19)11-10-27-8-2-3-9-27)26-22(29)21-14-16-13-17(24)5-7-20(16)30-21/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26,29)
InChIKeyDFAWLYACUJPUAO-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.09
Rot. Bonds5

About 5-chloro-N-[5-methyl-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 (PubChem CID 156508770) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID156508770
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(c1)nc(NC(=O)c1cc3cc(Cl)ccc3o1)n2CCN1CCCC1
InChIInChI=1S/C23H23ClN4O2/c1-15-4-6-19-18(12-15)25-23(28(19)11-10-27-8-2-3-9-27)26-22(29)21-14-16-13-17(24)5-7-20(16)30-21/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26,29)
InChIKeyDFAWLYACUJPUAO-UHFFFAOYSA-N
XLogP5.09
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.09
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-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 156508770) is 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is Cc1ccc2c(c1)nc(NC(=O)c1cc3cc(Cl)ccc3o1)n2CCN1CCCC1.
What is the InChIKey of 5-chloro-N-[5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DFAWLYACUJPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-4-6-19-18(12-15)25-23(28(19)11-10-27-8-2-3-9-27)26-22(29)21-14-16-13-17(24)5-7-20(16)30-21/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26,29).
What are the key properties of 5-chloro-N-[5-methyl-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 has a molecular weight of 422.92 g/mol, XLogP of 5.09, 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-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 156508770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).