1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone

C28H34N4O3 — CID 67542343

IUPAC1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1cccc(OCCCN2CCOCC2)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H34N4O3/c33-28(23-7-9-25(10-8-23)32-14-11-29-22-32)21-31-13-2-6-27(31)24-4-1-5-26(20-24)35-17-3-12-30-15-18-34-19-16-30/h1,4-5,7-11,14,20,22,27H,2-3,6,12-13,15-19,21H2
InChIKeyYDTKAYKKQVAOCI-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.99
Rot. Bonds10

About 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone

1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone (PubChem CID 67542343) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
PubChem CID67542343
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1cccc(OCCCN2CCOCC2)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H34N4O3/c33-28(23-7-9-25(10-8-23)32-14-11-29-22-32)21-31-13-2-6-27(31)24-4-1-5-26(20-24)35-17-3-12-30-15-18-34-19-16-30/h1,4-5,7-11,14,20,22,27H,2-3,6,12-13,15-19,21H2
InChIKeyYDTKAYKKQVAOCI-UHFFFAOYSA-N
XLogP3.99
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylsulfanylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67545408
1-[4-(dimethylamino)phenyl]-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67543074
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate
CID 23361307
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 67543421
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-(3-nitrophenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 67542632
[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 124984370

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone (CID 67542343) is 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone is O=C(CN1CCCC1c1cccc(OCCCN2CCOCC2)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YDTKAYKKQVAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-28(23-7-9-25(10-8-23)32-14-11-29-22-32)21-31-13-2-6-27(31)24-4-1-5-26(20-24)35-17-3-12-30-15-18-34-19-16-30/h1,4-5,7-11,14,20,22,27H,2-3,6,12-13,15-19,21H2.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone?
1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone has a molecular weight of 474.61 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 67542343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).