[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

C20H18N4OS2 — CID 47014764

About [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 47014764) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
• PubChem CID: 47014764
• Molecular Formula: C20H18N4OS2
• Molecular Weight: 394.53 g/mol
• Exact Mass: 394.09
• IUPAC Name: [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1nc(-c2cccs2)sc1C(=O)N1CCCC1c1nc2ccccc2[nH]1
• InChI: InChI=1S/C20H18N4OS2/c1-12-17(27-19(21-12)16-9-5-11-26-16)20(25)24-10-4-8-15(24)18-22-13-6-2-3-7-14(13)23-18/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,22,23)
• InChIKey: UPEVRTXFNGRXEN-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.53
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?

The IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (CID 47014764) is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?

The canonical SMILES for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2cccs2)sc1C(=O)N1CCCC1c1nc2ccccc2[nH]1.

What is the InChIKey of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?

The InChIKey is UPEVRTXFNGRXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-12-17(27-19(21-12)16-9-5-11-26-16)20(25)24-10-4-8-15(24)18-22-13-6-2-3-7-14(13)23-18/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,22,23).

What are the key properties of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 394.53 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 47014764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).