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

C16H20BrN3 — CID 163346162

IUPAC1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1CC1CN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3/c1-2-16-18-6-7-20(16)12-14-10-19(11-14)9-13-4-3-5-15(17)8-13/h3-8,14H,2,9-12H2,1H3
InChIKeyGZZYBMQNXMKSTP-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.34
Rot. Bonds5

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

1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole (PubChem CID 163346162) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
PubChem CID163346162
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1CC1CN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3/c1-2-16-18-6-7-20(16)12-14-10-19(11-14)9-13-4-3-5-15(17)8-13/h3-8,14H,2,9-12H2,1H3
InChIKeyGZZYBMQNXMKSTP-UHFFFAOYSA-N
XLogP3.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
CID 163346092
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
CID 155942481
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole?
The IUPAC name of 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole (CID 163346162) is 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole.
What is the SMILES notation for 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole?
The canonical SMILES for 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole is CCc1nccn1CC1CN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole?
The InChIKey is GZZYBMQNXMKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-16-18-6-7-20(16)12-14-10-19(11-14)9-13-4-3-5-15(17)8-13/h3-8,14H,2,9-12H2,1H3.
What are the key properties of 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole?
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole has a molecular weight of 334.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole is sourced from PubChem (CID 163346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).