1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

C17H22ClN3O — CID 45267471

IUPAC1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O/c18-14-2-1-3-16(11-14)21-9-8-19(17(21)22)6-7-20-12-13-4-5-15(20)10-13/h1-3,11,13,15H,4-10,12H2/t13-,15+/m0/s1
InChIKeyKUXKOTSZBCHRDY-DZGCQCFKSA-N
MW319.84 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (PubChem CID 45267471) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
PubChem CID45267471
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O/c18-14-2-1-3-16(11-14)21-9-8-19(17(21)22)6-7-20-12-13-4-5-15(20)10-13/h1-3,11,13,15H,4-10,12H2/t13-,15+/m0/s1
InChIKeyKUXKOTSZBCHRDY-DZGCQCFKSA-N
XLogP3.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-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

Imidoline
CID 23728
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-phenyl)-imidazolidin-2-one
CID 10807044
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(3-Chloro-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-imidazolidin-2-one
CID 20081921
1-(3-Chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463
1-[2-(Azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
CID 46882004
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(4-chloro-phenyl)-imidazolidin-2-one
CID 10566536
1-(3-Chloro-4-methylphenyl)-4-(1-pyrrolidinylcarbonyl)piperazine
CID 971957
1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 44517726
1-(3-Chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45267270
1-(3-Chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 45268148
1-(3-Chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45268345

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (CID 45267471) is 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is O=C1N(CCN2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The InChIKey is KUXKOTSZBCHRDY-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H22ClN3O/c18-14-2-1-3-16(11-14)21-9-8-19(17(21)22)6-7-20-12-13-4-5-15(20)10-13/h1-3,11,13,15H,4-10,12H2/t13-,15+/m0/s1.
What are the key properties of 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one has a molecular weight of 319.84 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 45267471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).