(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

C21H24ClN7O — CID 137440064

IUPAC(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H24ClN7O/c1-13(2)18-10-24-21(30)29(18)19-8-9-23-20(27-19)26-14(3)17-11-28(12-25-17)16-6-4-15(22)5-7-16/h4-9,11-14,18H,10H2,1-3H3,(H,24,30)(H,23,26,27)/t14?,18-/m1/s1
InChIKeyDNVUFFUJTXKZKC-XPKAQORNSA-N
MW425.92 g/mol
LogP4.04
Rot. Bonds6

About (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (PubChem CID 137440064) has the molecular formula C21H24ClN7O and a molecular weight of 425.92 g/mol. Its IUPAC name is (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
PubChem CID137440064
Molecular FormulaC21H24ClN7O
Molecular Weight425.92 g/mol
Exact Mass425.17
IUPAC Name(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H24ClN7O/c1-13(2)18-10-24-21(30)29(18)19-8-9-23-20(27-19)26-14(3)17-11-28(12-25-17)16-6-4-15(22)5-7-16/h4-9,11-14,18H,10H2,1-3H3,(H,24,30)(H,23,26,27)/t14?,18-/m1/s1
InChIKeyDNVUFFUJTXKZKC-XPKAQORNSA-N
XLogP4.04
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (CID 137440064) is (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is CC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1cn(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The InChIKey is DNVUFFUJTXKZKC-XPKAQORNSA-N. The full InChI is InChI=1S/C21H24ClN7O/c1-13(2)18-10-24-21(30)29(18)19-8-9-23-20(27-19)26-14(3)17-11-28(12-25-17)16-6-4-15(22)5-7-16/h4-9,11-14,18H,10H2,1-3H3,(H,24,30)(H,23,26,27)/t14?,18-/m1/s1.
What are the key properties of (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one has a molecular weight of 425.92 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 137440064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).