5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one

C₂₁H₂₄N₄O₃ — CID 154948654

About 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one

5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 154948654) has the molecular formula C₂₁H₂₄N₄O₃ and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 154948654
• Molecular Formula: C₂₁H₂₄N₄O₃
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCC(=O)N1)n2[C@@H]1CC[C@@H](O)C1
• InChI: InChI=1S/C21H24N4O3/c1-11-20(12(2)28-24-11)13-3-7-18-17(9-13)23-21(16-6-8-19(27)22-16)25(18)14-4-5-15(26)10-14/h3,7,9,14-16,26H,4-6,8,10H2,1-2H3,(H,22,27)/t14-,15-,16?/m1/s1
• InChIKey: XDCULYVDVPFORI-YGFGXBMJSA-N
• XLogP: 3.35
• TPSA: 93.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 154948654) is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCC(=O)N1)n2[C@@H]1CC[C@@H](O)C1.

What is the InChIKey of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is XDCULYVDVPFORI-YGFGXBMJSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-11-20(12(2)28-24-11)13-3-7-18-17(9-13)23-21(16-6-8-19(27)22-16)25(18)14-4-5-15(26)10-14/h3,7,9,14-16,26H,4-6,8,10H2,1-2H3,(H,22,27)/t14-,15-,16?/m1/s1.

What are the key properties of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?

5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 154948654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154948654 — identifiers, structure, computed properties (public domain)

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