1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole

C14H13BrN4 — CID 71986363

IUPAC1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
SMILESBrc1cnn(Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C14H13BrN4/c15-13-8-17-19(10-13)11-14-16-6-7-18(14)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyXXUKTARMZNHGQX-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.94
Rot. Bonds4

About 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole

1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole (PubChem CID 71986363) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
PubChem CID71986363
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
SMILESBrc1cnn(Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C14H13BrN4/c15-13-8-17-19(10-13)11-14-16-6-7-18(14)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyXXUKTARMZNHGQX-UHFFFAOYSA-N
XLogP2.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]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

(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 95609576
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
1-benzyl-2-chloroimidazole
CID 11629752
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole?
The IUPAC name of 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole (CID 71986363) is 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole is Brc1cnn(Cc2nccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole?
The InChIKey is XXUKTARMZNHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-13-8-17-19(10-13)11-14-16-6-7-18(14)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2.
What are the key properties of 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole?
1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole has a molecular weight of 317.19 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole is sourced from PubChem (CID 71986363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).