1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one

C15H20BrN3O2 — CID 8643765

IUPAC1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
SMILESCC[C@@H](N[C@H](C)C(=O)N1CCNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)18-10(2)14(20)19-9-8-17-15(19)21/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,17,21)/t10-,13-/m1/s1
InChIKeyVKHHIMOOEOKGDR-ZWNOBZJWSA-N
MW354.25 g/mol
LogP2.43
Rot. Bonds5

About 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one

1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8643765) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8643765
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
SMILESCC[C@@H](N[C@H](C)C(=O)N1CCNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)18-10(2)14(20)19-9-8-17-15(19)21/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,17,21)/t10-,13-/m1/s1
InChIKeyVKHHIMOOEOKGDR-ZWNOBZJWSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8830970
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 60930878
1-(2-chlorobutanoyl)imidazolidin-2-one
CID 16786747
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one (CID 8643765) is 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one is CC[C@@H](N[C@H](C)C(=O)N1CCNC1=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is VKHHIMOOEOKGDR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)18-10(2)14(20)19-9-8-17-15(19)21/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,17,21)/t10-,13-/m1/s1.
What are the key properties of 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 354.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8643765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).