3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide

C17H22N4O2 — CID 136529933

IUPAC3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCC2c2ncc[nH]2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)20-16(22)8-12-21-11-2-3-15(21)17-18-9-10-19-17/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,18,19)(H,20,22)
InChIKeyRPDPEVONJUDIJT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.58
Rot. Bonds6

About 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide

3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 136529933) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID136529933
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCC2c2ncc[nH]2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)20-16(22)8-12-21-11-2-3-15(21)17-18-9-10-19-17/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,18,19)(H,20,22)
InChIKeyRPDPEVONJUDIJT-UHFFFAOYSA-N
XLogP2.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 94588861
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
N-(4-methoxyphenyl)-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanamide
CID 95326703
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 124754771
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 136529933) is 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2CCCC2c2ncc[nH]2)cc1.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is RPDPEVONJUDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)20-16(22)8-12-21-11-2-3-15(21)17-18-9-10-19-17/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide?
3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 136529933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).