1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one

C21H26Cl2N6O — CID 122520075

IUPAC1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one
SMILESCCN1CCCC(Nc2cc(C)nc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)C1
InChIInChI=1S/C21H26Cl2N6O/c1-3-27-8-4-5-15(13-27)25-19-11-14(2)24-20(26-19)29-10-9-28(21(29)30)16-6-7-17(22)18(23)12-16/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,24,25,26)
InChIKeyAUJBIKZMICATCS-UHFFFAOYSA-N
MW449.39 g/mol
LogP4.43
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one

1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one (PubChem CID 122520075) has the molecular formula C21H26Cl2N6O and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one
PubChem CID122520075
Molecular FormulaC21H26Cl2N6O
Molecular Weight449.39 g/mol
Exact Mass448.15
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one
SMILESCCN1CCCC(Nc2cc(C)nc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)C1
InChIInChI=1S/C21H26Cl2N6O/c1-3-27-8-4-5-15(13-27)25-19-11-14(2)24-20(26-19)29-10-9-28(21(29)30)16-6-7-17(22)18(23)12-16/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,24,25,26)
InChIKeyAUJBIKZMICATCS-UHFFFAOYSA-N
XLogP4.43
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one (CID 122520075) is 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one is CCN1CCCC(Nc2cc(C)nc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is AUJBIKZMICATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N6O/c1-3-27-8-4-5-15(13-27)25-19-11-14(2)24-20(26-19)29-10-9-28(21(29)30)16-6-7-17(22)18(23)12-16/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,24,25,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one?
1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 449.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 122520075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).