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

C13H16BrN3S — CID 116877651

IUPAC2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
SMILESBrc1ccc(-c2cnc(CC3CCCCN3)[nH]2)s1
InChIInChI=1S/C13H16BrN3S/c14-12-5-4-11(18-12)10-8-16-13(17-10)7-9-3-1-2-6-15-9/h4-5,8-9,15H,1-3,6-7H2,(H,16,17)
InChIKeyPGPQREJPTFFFSP-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.59
Rot. Bonds3

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

2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 116877651) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
PubChem CID116877651
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
SMILESBrc1ccc(-c2cnc(CC3CCCCN3)[nH]2)s1
InChIInChI=1S/C13H16BrN3S/c14-12-5-4-11(18-12)10-8-16-13(17-10)7-9-3-1-2-6-15-9/h4-5,8-9,15H,1-3,6-7H2,(H,16,17)
InChIKeyPGPQREJPTFFFSP-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
CID 116878592
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine (CID 116877651) is 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine is Brc1ccc(-c2cnc(CC3CCCCN3)[nH]2)s1.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is PGPQREJPTFFFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c14-12-5-4-11(18-12)10-8-16-13(17-10)7-9-3-1-2-6-15-9/h4-5,8-9,15H,1-3,6-7H2,(H,16,17).
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine?
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 326.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 116877651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).