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

C22H24ClN7O — CID 130469646

IUPAC(5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1
InChIInChI=1S/C22H24ClN7O/c1-14(2)17-11-25-21(31)30(17)19-7-10-24-20(27-19)28-22(8-9-22)18-12-29(13-26-18)16-5-3-15(23)4-6-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3,(H,25,31)(H,24,27,28)/t17-/m1/s1
InChIKeyYXIXBUREGCTXCV-QGZVFWFLSA-N
MW437.94 g/mol
LogP3.97
Rot. Bonds6

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

(5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (PubChem CID 130469646) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
PubChem CID130469646
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC Name(5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1
InChIInChI=1S/C22H24ClN7O/c1-14(2)17-11-25-21(31)30(17)19-7-10-24-20(27-19)28-22(8-9-22)18-12-29(13-26-18)16-5-3-15(23)4-6-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3,(H,25,31)(H,24,27,28)/t17-/m1/s1
InChIKeyYXIXBUREGCTXCV-QGZVFWFLSA-N
XLogP3.97
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 53.97
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]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (CID 130469646) is (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]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]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1.
What is the InChIKey of (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The InChIKey is YXIXBUREGCTXCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-14(2)17-11-25-21(31)30(17)19-7-10-24-20(27-19)28-22(8-9-22)18-12-29(13-26-18)16-5-3-15(23)4-6-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3,(H,25,31)(H,24,27,28)/t17-/m1/s1.
What are the key properties of (5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
(5S)-1-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one has a molecular weight of 437.94 g/mol, XLogP of 3.97, 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]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 130469646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).