3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one

C15H14BrN3OS — CID 107354292

IUPAC3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one
SMILESCC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(Br)cs1
InChIInChI=1S/C15H14BrN3OS/c1-10(14-8-11(16)9-21-14)18-12-2-4-13(5-3-12)19-7-6-17-15(19)20/h2-10,18H,1H3,(H,17,20)
InChIKeyCGMOGZHPIGOANA-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.16
Rot. Bonds4

About 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one

3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one (PubChem CID 107354292) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one
PubChem CID107354292
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one
SMILESCC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(Br)cs1
InChIInChI=1S/C15H14BrN3OS/c1-10(14-8-11(16)9-21-14)18-12-2-4-13(5-3-12)19-7-6-17-15(19)20/h2-10,18H,1H3,(H,17,20)
InChIKeyCGMOGZHPIGOANA-UHFFFAOYSA-N
XLogP4.16
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one (CID 107354292) is 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one is CC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(Br)cs1.
What is the InChIKey of 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one?
The InChIKey is CGMOGZHPIGOANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-10(14-8-11(16)9-21-14)18-12-2-4-13(5-3-12)19-7-6-17-15(19)20/h2-10,18H,1H3,(H,17,20).
What are the key properties of 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one?
3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one has a molecular weight of 364.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 107354292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).