3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide

C25H28N4O3 — CID 134612038

IUPAC3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(n3cncc3C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-22-9-7-20(8-10-22)15-24(30)28-14-12-21(17-28)29-18-26-16-23(29)25(31)27-13-11-19-5-3-2-4-6-19/h2-10,16,18,21H,11-15,17H2,1H3,(H,27,31)
InChIKeyVYTPVCQJIXRJEL-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.88
Rot. Bonds8

About 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide

3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide (PubChem CID 134612038) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide
PubChem CID134612038
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(n3cncc3C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-22-9-7-20(8-10-22)15-24(30)28-14-12-21(17-28)29-18-26-16-23(29)25(31)27-13-11-19-5-3-2-4-6-19/h2-10,16,18,21H,11-15,17H2,1H3,(H,27,31)
InChIKeyVYTPVCQJIXRJEL-UHFFFAOYSA-N
XLogP2.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide?
The IUPAC name of 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide (CID 134612038) is 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide is COc1ccc(CC(=O)N2CCC(n3cncc3C(=O)NCCc3ccccc3)C2)cc1.
What is the InChIKey of 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide?
The InChIKey is VYTPVCQJIXRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-22-9-7-20(8-10-22)15-24(30)28-14-12-21(17-28)29-18-26-16-23(29)25(31)27-13-11-19-5-3-2-4-6-19/h2-10,16,18,21H,11-15,17H2,1H3,(H,27,31).
What are the key properties of 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide?
3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-phenylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 134612038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).