1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

C22H21N7O — CID 18342791

IUPAC1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(-n2cnc3cc(N4CCNC4=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C22H21N7O/c1-15(16-5-3-2-4-6-16)26-21-23-10-9-20(27-21)29-14-25-18-13-17(7-8-19(18)29)28-12-11-24-22(28)30/h2-10,13-15H,11-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1
InChIKeyZVUVTXCZFGDRMO-HNNXBMFYSA-N
MW399.46 g/mol
LogP3.52
Rot. Bonds5

About 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (PubChem CID 18342791) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
PubChem CID18342791
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(-n2cnc3cc(N4CCNC4=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C22H21N7O/c1-15(16-5-3-2-4-6-16)26-21-23-10-9-20(27-21)29-14-25-18-13-17(7-8-19(18)29)28-12-11-24-22(28)30/h2-10,13-15H,11-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1
InChIKeyZVUVTXCZFGDRMO-HNNXBMFYSA-N
XLogP3.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (CID 18342791) is 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is C[C@H](Nc1nccc(-n2cnc3cc(N4CCNC4=O)ccc32)n1)c1ccccc1.
What is the InChIKey of 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The InChIKey is ZVUVTXCZFGDRMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-15(16-5-3-2-4-6-16)26-21-23-10-9-20(27-21)29-14-25-18-13-17(7-8-19(18)29)28-12-11-24-22(28)30/h2-10,13-15H,11-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1.
What are the key properties of 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one has a molecular weight of 399.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 18342791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).