1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one

C14H18BrN3O3 — CID 9001576

IUPAC1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
SMILESCOc1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyZMPWEAQXRYFAHB-SECBINFHSA-N
MW356.22 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one

1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one (PubChem CID 9001576) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
PubChem CID9001576
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
SMILESCOc1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyZMPWEAQXRYFAHB-SECBINFHSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9001573
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 112797124
1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9001571
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 65036741
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
CID 112797136
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one (CID 9001576) is 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one is COc1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1Br.
What is the InChIKey of 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is ZMPWEAQXRYFAHB-SECBINFHSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one?
1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 356.22 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).