(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one

C24H22ClN7O — CID 130469826

IUPAC(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)NC[C@@H]2c2ccccc2)n1)c1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H22ClN7O/c1-16(20-14-31(15-28-20)19-9-7-18(25)8-10-19)29-23-26-12-11-22(30-23)32-21(13-27-24(32)33)17-5-3-2-4-6-17/h2-12,14-16,21H,13H2,1H3,(H,27,33)(H,26,29,30)/t16-,21+/m0/s1
InChIKeySSDHDXCTTZXUHJ-HRAATJIYSA-N
MW459.94 g/mol
LogP4.76
Rot. Bonds6

About (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one

(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one (PubChem CID 130469826) has the molecular formula C24H22ClN7O and a molecular weight of 459.94 g/mol. Its IUPAC name is (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one
PubChem CID130469826
Molecular FormulaC24H22ClN7O
Molecular Weight459.94 g/mol
Exact Mass459.16
IUPAC Name(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)NC[C@@H]2c2ccccc2)n1)c1cn(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H22ClN7O/c1-16(20-14-31(15-28-20)19-9-7-18(25)8-10-19)29-23-26-12-11-22(30-23)32-21(13-27-24(32)33)17-5-3-2-4-6-17/h2-12,14-16,21H,13H2,1H3,(H,27,33)(H,26,29,30)/t16-,21+/m0/s1
InChIKeySSDHDXCTTZXUHJ-HRAATJIYSA-N
XLogP4.76
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one?
The IUPAC name of (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one (CID 130469826) is (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one.
What is the SMILES notation for (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one?
The canonical SMILES for (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)NC[C@@H]2c2ccccc2)n1)c1cn(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one?
The InChIKey is SSDHDXCTTZXUHJ-HRAATJIYSA-N. The full InChI is InChI=1S/C24H22ClN7O/c1-16(20-14-31(15-28-20)19-9-7-18(25)8-10-19)29-23-26-12-11-22(30-23)32-21(13-27-24(32)33)17-5-3-2-4-6-17/h2-12,14-16,21H,13H2,1H3,(H,27,33)(H,26,29,30)/t16-,21+/m0/s1.
What are the key properties of (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one?
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one has a molecular weight of 459.94 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-phenylimidazolidin-2-one is sourced from PubChem (CID 130469826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).