3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one

C16H17N3O2 — CID 62345288

IUPAC3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
SMILESCCc1ccc(CNc2ccc(-n3cc[nH]c3=O)cc2)o1
InChIInChI=1S/C16H17N3O2/c1-2-14-7-8-15(21-14)11-18-12-3-5-13(6-4-12)19-10-9-17-16(19)20/h3-10,18H,2,11H2,1H3,(H,17,20)
InChIKeyZOUCTOMEOVVIMU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds5

About 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one

3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one (PubChem CID 62345288) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
PubChem CID62345288
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
SMILESCCc1ccc(CNc2ccc(-n3cc[nH]c3=O)cc2)o1
InChIInChI=1S/C16H17N3O2/c1-2-14-7-8-15(21-14)11-18-12-3-5-13(6-4-12)19-10-9-17-16(19)20/h3-10,18H,2,11H2,1H3,(H,17,20)
InChIKeyZOUCTOMEOVVIMU-UHFFFAOYSA-N
XLogP2.93
TPSA62.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one (CID 62345288) is 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one is CCc1ccc(CNc2ccc(-n3cc[nH]c3=O)cc2)o1.
What is the InChIKey of 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one?
The InChIKey is ZOUCTOMEOVVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-14-7-8-15(21-14)11-18-12-3-5-13(6-4-12)19-10-9-17-16(19)20/h3-10,18H,2,11H2,1H3,(H,17,20).
What are the key properties of 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one?
3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 62345288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).