4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C24H24N4OS — CID 44523854

IUPAC4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C24H24N4OS/c29-24(25-13-16-28-14-3-4-15-28)18-9-7-17(8-10-18)21-11-12-22(30-21)23-26-19-5-1-2-6-20(19)27-23/h1-2,5-12H,3-4,13-16H2,(H,25,29)(H,26,27)
InChIKeyZJNOQBXLGXXOLX-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.78
Rot. Bonds6

About 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 44523854) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID44523854
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C24H24N4OS/c29-24(25-13-16-28-14-3-4-15-28)18-9-7-17(8-10-18)21-11-12-22(30-21)23-26-19-5-1-2-6-20(19)27-23/h1-2,5-12H,3-4,13-16H2,(H,25,29)(H,26,27)
InChIKeyZJNOQBXLGXXOLX-UHFFFAOYSA-N
XLogP4.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 44523854) is 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1.
What is the InChIKey of 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ZJNOQBXLGXXOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(25-13-16-28-14-3-4-15-28)18-9-7-17(8-10-18)21-11-12-22(30-21)23-26-19-5-1-2-6-20(19)27-23/h1-2,5-12H,3-4,13-16H2,(H,25,29)(H,26,27).
What are the key properties of 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 416.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 44523854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).