2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C23H20N4O2 — CID 11668120

IUPAC2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)N=C1N
InChIInChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26)
InChIKeyVACMQJOAIDVTHB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 11668120) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID11668120
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)N=C1N
InChIInChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26)
InChIKeyVACMQJOAIDVTHB-UHFFFAOYSA-N
XLogP2.71
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11654224
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
[4-[(4S)-2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]phenyl] methanesulfonate
CID 87682940
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-fluoro-3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 24990769
2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one
CID 24991142
4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde
CID 143389318
2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one;hydrochloride
CID 24991141
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
CID 16750320
5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile
CID 24966340
2-amino-5-[3,4-bis(oxiran-2-yl)phenyl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 89138384

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 11668120) is 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)N=C1N.
What is the InChIKey of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is VACMQJOAIDVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26).
What are the key properties of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 384.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 11668120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).