N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide

C23H21N5O3S — CID 86974523

About N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide

N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide (PubChem CID 86974523) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide
• PubChem CID: 86974523
• Molecular Formula: C23H21N5O3S
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.14
• IUPAC Name: N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCCC2c2nc3ccccc3[nH]2)cs1)c1cccc(O)c1
• InChI: InChI=1S/C23H21N5O3S/c29-16-6-3-5-14(11-16)22(31)27-23-24-15(13-32-23)12-20(30)28-10-4-9-19(28)21-25-17-7-1-2-8-18(17)26-21/h1-3,5-8,11,13,19,29H,4,9-10,12H2,(H,25,26)(H,24,27,31)
• InChIKey: IAFSHKSOVFLMMO-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 111.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide?

The IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide (CID 86974523) is N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide.

What is the SMILES notation for N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide?

The canonical SMILES for N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide is O=C(Nc1nc(CC(=O)N2CCCC2c2nc3ccccc3[nH]2)cs1)c1cccc(O)c1.

What is the InChIKey of N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide?

The InChIKey is IAFSHKSOVFLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-16-6-3-5-14(11-16)22(31)27-23-24-15(13-32-23)12-20(30)28-10-4-9-19(28)21-25-17-7-1-2-8-18(17)26-21/h1-3,5-8,11,13,19,29H,4,9-10,12H2,(H,25,26)(H,24,27,31).

What are the key properties of N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide?

N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide has a molecular weight of 447.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-hydroxybenzamide is sourced from PubChem (CID 86974523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).