1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one

C20H21N5O2 — CID 67036293

IUPAC1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N5O2/c26-20-21-12-19(25(20)16-5-6-17-18(11-16)23-13-22-17)14-1-3-15(4-2-14)24-7-9-27-10-8-24/h1-6,11,13,19H,7-10,12H2,(H,21,26)(H,22,23)
InChIKeyDLTPTOQUQFPYRK-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.67
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one (PubChem CID 67036293) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one
PubChem CID67036293
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N5O2/c26-20-21-12-19(25(20)16-5-6-17-18(11-16)23-13-22-17)14-1-3-15(4-2-14)24-7-9-27-10-8-24/h1-6,11,13,19H,7-10,12H2,(H,21,26)(H,22,23)
InChIKeyDLTPTOQUQFPYRK-UHFFFAOYSA-N
XLogP2.67
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one (CID 67036293) is 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one is O=C1NCC(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one?
The InChIKey is DLTPTOQUQFPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20-21-12-19(25(20)16-5-6-17-18(11-16)23-13-22-17)14-1-3-15(4-2-14)24-7-9-27-10-8-24/h1-6,11,13,19H,7-10,12H2,(H,21,26)(H,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(4-morpholin-4-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 67036293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).