2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole

C14H15BrN2O — CID 82562308

IUPAC2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESBrc1cccc(-c2nccn2CC2CCCO2)c1
InChIInChI=1S/C14H15BrN2O/c15-12-4-1-3-11(9-12)14-16-6-7-17(14)10-13-5-2-8-18-13/h1,3-4,6-7,9,13H,2,5,8,10H2
InChIKeyJTUODLWQYCLTMM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.49
Rot. Bonds3

About 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole

2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole (PubChem CID 82562308) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
PubChem CID82562308
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESBrc1cccc(-c2nccn2CC2CCCO2)c1
InChIInChI=1S/C14H15BrN2O/c15-12-4-1-3-11(9-12)14-16-6-7-17(14)10-13-5-2-8-18-13/h1,3-4,6-7,9,13H,2,5,8,10H2
InChIKeyJTUODLWQYCLTMM-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole 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-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 53272918
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155910990
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729
2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
CID 56865531
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole?
The IUPAC name of 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole (CID 82562308) is 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole is Brc1cccc(-c2nccn2CC2CCCO2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole?
The InChIKey is JTUODLWQYCLTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-4-1-3-11(9-12)14-16-6-7-17(14)10-13-5-2-8-18-13/h1,3-4,6-7,9,13H,2,5,8,10H2.
What are the key properties of 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole?
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole has a molecular weight of 307.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole is sourced from PubChem (CID 82562308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).