3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine

C13H10BrN3S — CID 82562271

IUPAC3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine
SMILESBrc1cncc(-c2nccn2Cc2cccs2)c1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)13-16-3-4-17(13)9-12-2-1-5-18-12/h1-8H,9H2
InChIKeyQQFJOUNLMCWZFK-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine

3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine (PubChem CID 82562271) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine
PubChem CID82562271
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine
SMILESBrc1cncc(-c2nccn2Cc2cccs2)c1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)13-16-3-4-17(13)9-12-2-1-5-18-12/h1-8H,9H2
InChIKeyQQFJOUNLMCWZFK-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
CID 104809193
2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 86788166
2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
CID 15057077
3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 86792596
[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
CID 88666996
4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 146040951
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561408
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2605965

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine (CID 82562271) is 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine is Brc1cncc(-c2nccn2Cc2cccs2)c1.
What is the InChIKey of 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine?
The InChIKey is QQFJOUNLMCWZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)13-16-3-4-17(13)9-12-2-1-5-18-12/h1-8H,9H2.
What are the key properties of 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine?
3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine has a molecular weight of 320.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 82562271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).