1-[(5-bromothiophen-3-yl)methyl]imidazole

C8H7BrN2S — CID 130660230

IUPAC1-[(5-bromothiophen-3-yl)methyl]imidazole
SMILESBrc1cc(Cn2ccnc2)cs1
InChIInChI=1S/C8H7BrN2S/c9-8-3-7(5-12-8)4-11-2-1-10-6-11/h1-3,5-6H,4H2
InChIKeyQTKJGGWFXRTRLA-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.76
Rot. Bonds2

About 1-[(5-bromothiophen-3-yl)methyl]imidazole

1-[(5-bromothiophen-3-yl)methyl]imidazole (PubChem CID 130660230) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]imidazole
PubChem CID130660230
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]imidazole
SMILESBrc1cc(Cn2ccnc2)cs1
InChIInChI=1S/C8H7BrN2S/c9-8-3-7(5-12-8)4-11-2-1-10-6-11/h1-3,5-6H,4H2
InChIKeyQTKJGGWFXRTRLA-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
CID 130652067
1-[(5-bromothiophen-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 47044678
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
CID 19995935
7-(imidazol-1-ylmethyl)isoquinoline
CID 10750911
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
ethane;[3-ethyl-5-(imidazol-1-ylmethyl)phenyl]-trimethyl-λ4-sulfane
CID 143497265
1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772106
5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
CID 130892014
2-[(5-bromothiophen-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 51083238

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]imidazole?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]imidazole (CID 130660230) is 1-[(5-bromothiophen-3-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]imidazole is Brc1cc(Cn2ccnc2)cs1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]imidazole?
The InChIKey is QTKJGGWFXRTRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c9-8-3-7(5-12-8)4-11-2-1-10-6-11/h1-3,5-6H,4H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]imidazole?
1-[(5-bromothiophen-3-yl)methyl]imidazole has a molecular weight of 243.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]imidazole is sourced from PubChem (CID 130660230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).