3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one

C8H7BrN2OS — CID 103124095

IUPAC3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
InChIKeyLZSOFWNNGSSSLY-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.05
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one

3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one (PubChem CID 103124095) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
PubChem CID103124095
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
InChIKeyLZSOFWNNGSSSLY-UHFFFAOYSA-N
XLogP2.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one (CID 103124095) is 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one is O=c1[nH]ccn1Cc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one?
The InChIKey is LZSOFWNNGSSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12).
What are the key properties of 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one?
3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one has a molecular weight of 259.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).