2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide

C23H26N4O3 — CID 46980936

IUPAC2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-29-21-10-5-17(14-22(21)30-2)20-4-3-12-26(20)15-23(28)25-18-6-8-19(9-7-18)27-13-11-24-16-27/h5-11,13-14,16,20H,3-4,12,15H2,1-2H3,(H,25,28)
InChIKeyRNWKSETVRXXSDC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 46980936) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide
PubChem CID46980936
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-29-21-10-5-17(14-22(21)30-2)20-4-3-12-26(20)15-23(28)25-18-6-8-19(9-7-18)27-13-11-24-16-27/h5-11,13-14,16,20H,3-4,12,15H2,1-2H3,(H,25,28)
InChIKeyRNWKSETVRXXSDC-UHFFFAOYSA-N
XLogP3.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845002
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 95858474
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56814172
2-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32906737
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 46802170
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42950760
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51172227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide (CID 46980936) is 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide is COc1ccc(C2CCCN2CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is RNWKSETVRXXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-21-10-5-17(14-22(21)30-2)20-4-3-12-26(20)15-23(28)25-18-6-8-19(9-7-18)27-13-11-24-16-27/h5-11,13-14,16,20H,3-4,12,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46980936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).