3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide

C24H21N5OS — CID 44524107

IUPAC3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
SMILESCn1cnc(CCNC(=O)c2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C24H21N5OS/c1-29-13-19(26-15-29)9-10-25-24(30)17-6-4-5-16(11-17)18-12-22(31-14-18)23-27-20-7-2-3-8-21(20)28-23/h2-8,11-15H,9-10H2,1H3,(H,25,30)(H,27,28)
InChIKeyAJPUXQKGXWLEHH-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.66
Rot. Bonds6

About 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide

3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide (PubChem CID 44524107) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
PubChem CID44524107
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
SMILESCn1cnc(CCNC(=O)c2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C24H21N5OS/c1-29-13-19(26-15-29)9-10-25-24(30)17-6-4-5-16(11-17)18-12-22(31-14-18)23-27-20-7-2-3-8-21(20)28-23/h2-8,11-15H,9-10H2,1H3,(H,25,30)(H,27,28)
InChIKeyAJPUXQKGXWLEHH-UHFFFAOYSA-N
XLogP4.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide (CID 44524107) is 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide is Cn1cnc(CCNC(=O)c2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
The InChIKey is AJPUXQKGXWLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-29-13-19(26-15-29)9-10-25-24(30)17-6-4-5-16(11-17)18-12-22(31-14-18)23-27-20-7-2-3-8-21(20)28-23/h2-8,11-15H,9-10H2,1H3,(H,25,30)(H,27,28).
What are the key properties of 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 44524107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).