1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one

C17H20N4O2 — CID 95552712

IUPAC1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESC[C@@H]1Cc2cc(-c3nccn3CCN3CCNC3=O)ccc2O1
InChIInChI=1S/C17H20N4O2/c1-12-10-14-11-13(2-3-15(14)23-12)16-18-4-6-20(16)8-9-21-7-5-19-17(21)22/h2-4,6,11-12H,5,7-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyUQZPBVJKEOYXPR-GFCCVEGCSA-N
MW312.37 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 95552712) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID95552712
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESC[C@@H]1Cc2cc(-c3nccn3CCN3CCNC3=O)ccc2O1
InChIInChI=1S/C17H20N4O2/c1-12-10-14-11-13(2-3-15(14)23-12)16-18-4-6-20(16)8-9-21-7-5-19-17(21)22/h2-4,6,11-12H,5,7-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyUQZPBVJKEOYXPR-GFCCVEGCSA-N
XLogP1.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one (CID 95552712) is 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one is C[C@@H]1Cc2cc(-c3nccn3CCN3CCNC3=O)ccc2O1.
What is the InChIKey of 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is UQZPBVJKEOYXPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-14-11-13(2-3-15(14)23-12)16-18-4-6-20(16)8-9-21-7-5-19-17(21)22/h2-4,6,11-12H,5,7-10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]imidazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 95552712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).