1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one

C18H23N3O3 — CID 56814172

IUPAC1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCOc1ccc(C2CCCN2C(=O)C(C)n2ccnc2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-13(20-10-8-19-12-20)18(22)21-9-4-5-15(21)14-6-7-16(23-2)17(11-14)24-3/h6-8,10-13,15H,4-5,9H2,1-3H3
InChIKeyICOUTIVHDSYKRZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one

1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 56814172) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID56814172
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCOc1ccc(C2CCCN2C(=O)C(C)n2ccnc2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-13(20-10-8-19-12-20)18(22)21-9-4-5-15(21)14-6-7-16(23-2)17(11-14)24-3/h6-8,10-13,15H,4-5,9H2,1-3H3
InChIKeyICOUTIVHDSYKRZ-UHFFFAOYSA-N
XLogP2.83
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-imidazol-1-yl-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94117679
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56819392
(2R)-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 94035597
2-(4-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 42936291
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94176770
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
benzyl N-[(2S)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 25496967
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide
CID 46980936
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 18147717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one (CID 56814172) is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one is COc1ccc(C2CCCN2C(=O)C(C)n2ccnc2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is ICOUTIVHDSYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(20-10-8-19-12-20)18(22)21-9-4-5-15(21)14-6-7-16(23-2)17(11-14)24-3/h6-8,10-13,15H,4-5,9H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 56814172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).