2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one

C13H12N2O2 — CID 106953454

IUPAC2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cc3ccccc3o2)NC1=O
InChIInChI=1S/C13H12N2O2/c1-13(2)12(16)14-11(15-13)10-7-8-5-3-4-6-9(8)17-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYQNSNADCQGVKBE-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.09
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one

2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953454) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953454
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cc3ccccc3o2)NC1=O
InChIInChI=1S/C13H12N2O2/c1-13(2)12(16)14-11(15-13)10-7-8-5-3-4-6-9(8)17-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYQNSNADCQGVKBE-UHFFFAOYSA-N
XLogP2.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

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CID 86184221
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2-(5-methylthiophen-2-yl)-1-benzofuran
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CID 136911032
2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 66316989
2-amino-4-(1-benzofuran-2-yl)-1H-1,3-diazepine-6,7-dione
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3-(1-benzofuran-2-yl)-2-methylpyran-4-one
CID 102159675
2-(1-benzofuran-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
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CID 67296045

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one (CID 106953454) is 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one is CC1(C)N=C(c2cc3ccccc3o2)NC1=O.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is YQNSNADCQGVKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-13(2)12(16)14-11(15-13)10-7-8-5-3-4-6-9(8)17-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one?
2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 228.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).