1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

C24H25N7O — CID 18342784

IUPAC1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESCCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)C1=O
InChIInChI=1S/C24H25N7O/c1-3-29-13-14-30(24(29)32)19-9-10-21-20(15-19)26-16-31(21)22-11-12-25-23(28-22)27-17(2)18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,25,27,28)/t17-/m0/s1
InChIKeyZCLNMZHSYXGHAD-KRWDZBQOSA-N
MW427.51 g/mol
LogP4.25
Rot. Bonds6

About 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (PubChem CID 18342784) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
PubChem CID18342784
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESCCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)C1=O
InChIInChI=1S/C24H25N7O/c1-3-29-13-14-30(24(29)32)19-9-10-21-20(15-19)26-16-31(21)22-11-12-25-23(28-22)27-17(2)18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,25,27,28)/t17-/m0/s1
InChIKeyZCLNMZHSYXGHAD-KRWDZBQOSA-N
XLogP4.25
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (CID 18342784) is 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)C1=O.
What is the InChIKey of 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The InChIKey is ZCLNMZHSYXGHAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N7O/c1-3-29-13-14-30(24(29)32)19-9-10-21-20(15-19)26-16-31(21)22-11-12-25-23(28-22)27-17(2)18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,25,27,28)/t17-/m0/s1.
What are the key properties of 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one has a molecular weight of 427.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 18342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).