1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one

C17H21ClN4O2 — CID 45270916

IUPAC1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one
SMILESCc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1
InChIInChI=1S/C17H21ClN4O2/c1-13-10-16(24-19-13)12-20(2)6-7-21-8-9-22(17(21)23)15-5-3-4-14(18)11-15/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyZLUNFIBGQZUIIC-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.01
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one (PubChem CID 45270916) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one
PubChem CID45270916
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one
SMILESCc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1
InChIInChI=1S/C17H21ClN4O2/c1-13-10-16(24-19-13)12-20(2)6-7-21-8-9-22(17(21)23)15-5-3-4-14(18)11-15/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyZLUNFIBGQZUIIC-UHFFFAOYSA-N
XLogP3.01
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one (CID 45270916) is 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one is Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is ZLUNFIBGQZUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13-10-16(24-19-13)12-20(2)6-7-21-8-9-22(17(21)23)15-5-3-4-14(18)11-15/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 348.83 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45270916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).