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

C16H17Cl2N3O — CID 56819392

IUPAC1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1c1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C16H17Cl2N3O/c1-11(20-8-6-19-10-20)16(22)21-7-2-3-15(21)12-4-5-13(17)14(18)9-12/h4-6,8-11,15H,2-3,7H2,1H3
InChIKeySOJYKHLSICQEDA-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.11
Rot. Bonds3

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

1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 56819392) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID56819392
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1c1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C16H17Cl2N3O/c1-11(20-8-6-19-10-20)16(22)21-7-2-3-15(21)12-4-5-13(17)14(18)9-12/h4-6,8-11,15H,2-3,7H2,1H3
InChIKeySOJYKHLSICQEDA-UHFFFAOYSA-N
XLogP4.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56814172
(2R)-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 94035597
(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-(methylamino)propan-1-one
CID 62638779
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
2-(azetidin-3-yl)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 116676654
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762407
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061886
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one (CID 56819392) is 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one is CC(C(=O)N1CCCC1c1ccc(Cl)c(Cl)c1)n1ccnc1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is SOJYKHLSICQEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-11(20-8-6-19-10-20)16(22)21-7-2-3-15(21)12-4-5-13(17)14(18)9-12/h4-6,8-11,15H,2-3,7H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one?
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 338.24 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 56819392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).