N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C15H20Cl2N4O — CID 119857085

IUPACN-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H18N4O.2ClH/c20-15(10-12-4-2-6-17-12)18-13-3-1-5-14(9-13)19-8-7-16-11-19;;/h1,3,5,7-9,11-12,17H,2,4,6,10H2,(H,18,20);2*1H
InChIKeyHYUBVYBXMQGMBY-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.80
Rot. Bonds4

About N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119857085) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119857085
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC NameN-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H18N4O.2ClH/c20-15(10-12-4-2-6-17-12)18-13-3-1-5-14(9-13)19-8-7-16-11-19;;/h1,3,5,7-9,11-12,17H,2,4,6,10H2,(H,18,20);2*1H
InChIKeyHYUBVYBXMQGMBY-UHFFFAOYSA-N
XLogP2.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119733243
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119857085) is N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is HYUBVYBXMQGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c20-15(10-12-4-2-6-17-12)18-13-3-1-5-14(9-13)19-8-7-16-11-19;;/h1,3,5,7-9,11-12,17H,2,4,6,10H2,(H,18,20);2*1H.
What are the key properties of N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119857085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).