N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

C24H25N5OS — CID 44523942

IUPACN-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3csc(-c4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C24H25N5OS/c1-28-10-12-29(13-11-28)15-23(30)25-19-8-6-17(7-9-19)18-14-22(31-16-18)24-26-20-4-2-3-5-21(20)27-24/h2-9,14,16H,10-13,15H2,1H3,(H,25,30)(H,26,27)
InChIKeyPEJLPMNKKABXKV-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.14
Rot. Bonds5

About N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 44523942) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID44523942
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3csc(-c4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C24H25N5OS/c1-28-10-12-29(13-11-28)15-23(30)25-19-8-6-17(7-9-19)18-14-22(31-16-18)24-26-20-4-2-3-5-21(20)27-24/h2-9,14,16H,10-13,15H2,1H3,(H,25,30)(H,26,27)
InChIKeyPEJLPMNKKABXKV-UHFFFAOYSA-N
XLogP4.14
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 44523942) is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(-c3csc(-c4nc5ccccc5[nH]4)c3)cc2)CC1.
What is the InChIKey of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is PEJLPMNKKABXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-28-10-12-29(13-11-28)15-23(30)25-19-8-6-17(7-9-19)18-14-22(31-16-18)24-26-20-4-2-3-5-21(20)27-24/h2-9,14,16H,10-13,15H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 431.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44523942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).