1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one

C13H16ClN3O2 — CID 9307678

IUPAC1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
SMILESC[C@H](NCC(=O)N1CCNC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-9(10-3-2-4-11(14)7-10)16-8-12(18)17-6-5-15-13(17)19/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeySBKMXPBXUDMHSF-VIFPVBQESA-N
MW281.74 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one

1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one (PubChem CID 9307678) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
PubChem CID9307678
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
SMILESC[C@H](NCC(=O)N1CCNC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-9(10-3-2-4-11(14)7-10)16-8-12(18)17-6-5-15-13(17)19/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeySBKMXPBXUDMHSF-VIFPVBQESA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9001576
1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
CID 102553814
1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8599291
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
CID 100696956
4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 9307521
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one (CID 9307678) is 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one is C[C@H](NCC(=O)N1CCNC1=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is SBKMXPBXUDMHSF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9(10-3-2-4-11(14)7-10)16-8-12(18)17-6-5-15-13(17)19/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one?
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 281.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).