1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole

C15H18BrN3 — CID 155942481

IUPAC1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
SMILESCc1nccn1CC1CN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrN3/c1-12-17-6-7-19(12)11-14-9-18(10-14)8-13-2-4-15(16)5-3-13/h2-7,14H,8-11H2,1H3
InChIKeyLZIRDGDNBBJVLO-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.09
Rot. Bonds4

About 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole

1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole (PubChem CID 155942481) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
PubChem CID155942481
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
SMILESCc1nccn1CC1CN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrN3/c1-12-17-6-7-19(12)11-14-9-18(10-14)8-13-2-4-15(16)5-3-13/h2-7,14H,8-11H2,1H3
InChIKeyLZIRDGDNBBJVLO-UHFFFAOYSA-N
XLogP3.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
CID 163346092
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine
CID 166600849
1-(azetidin-3-ylmethyl)-2-methylimidazole
CID 91812453
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495314
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-methylimidazole
CID 158634472
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
CID 82562055
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 131934362

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole (CID 155942481) is 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole is Cc1nccn1CC1CN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole?
The InChIKey is LZIRDGDNBBJVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-12-17-6-7-19(12)11-14-9-18(10-14)8-13-2-4-15(16)5-3-13/h2-7,14H,8-11H2,1H3.
What are the key properties of 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole?
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole has a molecular weight of 320.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole is sourced from PubChem (CID 155942481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).