5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide

C23H23ClN4O2 — CID 146251404

IUPAC5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21
InChIInChI=1S/C23H23ClN4O2/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/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29)
InChIKeyXZIPDOKLMBPLOL-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.17
Rot. Bonds5

About 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 146251404) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID146251404
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21
InChIInChI=1S/C23H23ClN4O2/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/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29)
InChIKeyXZIPDOKLMBPLOL-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]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-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 146251404) is 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide is CN1CCCC1CCn1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc21.
What is the InChIKey of 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is XZIPDOKLMBPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/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/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3,(H,25,26,29).
What are the key properties of 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146251404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).