1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C24H23ClN4O3 — CID 110120867

About 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 110120867) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
• PubChem CID: 110120867
• Molecular Formula: C24H23ClN4O3
• Molecular Weight: 450.93 g/mol
• Exact Mass: 450.15
• IUPAC Name: 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
• SMILES: Cn1c(=O)n(CC(=O)N2CCCC2c2ncc(Cc3ccccc3Cl)o2)c2ccccc21
• InChI: InChI=1S/C24H23ClN4O3/c1-27-19-9-4-5-10-20(19)29(24(27)31)15-22(30)28-12-6-11-21(28)23-26-14-17(32-23)13-16-7-2-3-8-18(16)25/h2-5,7-10,14,21H,6,11-13,15H2,1H3
• InChIKey: WYYFQLTUKVDBKZ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 73.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.93
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?

The IUPAC name of 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 110120867) is 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

What is the SMILES notation for 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?

The canonical SMILES for 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCCC2c2ncc(Cc3ccccc3Cl)o2)c2ccccc21.

What is the InChIKey of 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?

The InChIKey is WYYFQLTUKVDBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-27-19-9-4-5-10-20(19)29(24(27)31)15-22(30)28-12-6-11-21(28)23-26-14-17(32-23)13-16-7-2-3-8-18(16)25/h2-5,7-10,14,21H,6,11-13,15H2,1H3.

What are the key properties of 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?

1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 450.93 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 110120867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).