3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one

C19H18N4O4 — CID 123521045

IUPAC3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(-c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)c1O
InChIInChI=1S/C19H18N4O4/c1-10-17(24)23(19(25)22-10)13-7-20-18(21-8-13)27-14-5-4-12-9-26-16(11-2-3-11)15(12)6-14/h4-8,11,16,24H,2-3,9H2,1H3,(H,22,25)
InChIKeyDDHDWBNAJKHAGV-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.74
Rot. Bonds4

About 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one

3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one (PubChem CID 123521045) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one
PubChem CID123521045
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(-c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)c1O
InChIInChI=1S/C19H18N4O4/c1-10-17(24)23(19(25)22-10)13-7-20-18(21-8-13)27-14-5-4-12-9-26-16(11-2-3-11)15(12)6-14/h4-8,11,16,24H,2-3,9H2,1H3,(H,22,25)
InChIKeyDDHDWBNAJKHAGV-UHFFFAOYSA-N
XLogP2.74
TPSA102.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one (CID 123521045) is 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(-c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)c1O.
What is the InChIKey of 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one?
The InChIKey is DDHDWBNAJKHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-10-17(24)23(19(25)22-10)13-7-20-18(21-8-13)27-14-5-4-12-9-26-16(11-2-3-11)15(12)6-14/h4-8,11,16,24H,2-3,9H2,1H3,(H,22,25).
What are the key properties of 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one?
3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one has a molecular weight of 366.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 123521045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).