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

C12H14BrN3OS — CID 116881191

IUPAC2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine
SMILESBrc1ccc(-c2cnc(CC3CNCCO3)[nH]2)s1
InChIInChI=1S/C12H14BrN3OS/c13-11-2-1-10(18-11)9-7-15-12(16-9)5-8-6-14-3-4-17-8/h1-2,7-8,14H,3-6H2,(H,15,16)
InChIKeyUHZSPUBTTSPEQF-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.43
Rot. Bonds3

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

2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine (PubChem CID 116881191) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine
PubChem CID116881191
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine
SMILESBrc1ccc(-c2cnc(CC3CNCCO3)[nH]2)s1
InChIInChI=1S/C12H14BrN3OS/c13-11-2-1-10(18-11)9-7-15-12(16-9)5-8-6-14-3-4-17-8/h1-2,7-8,14H,3-6H2,(H,15,16)
InChIKeyUHZSPUBTTSPEQF-UHFFFAOYSA-N
XLogP2.43
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine (CID 116881191) is 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine is Brc1ccc(-c2cnc(CC3CNCCO3)[nH]2)s1.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine?
The InChIKey is UHZSPUBTTSPEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c13-11-2-1-10(18-11)9-7-15-12(16-9)5-8-6-14-3-4-17-8/h1-2,7-8,14H,3-6H2,(H,15,16).
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine?
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine has a molecular weight of 328.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 116881191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).