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

C15H18BrN3 — CID 114532872

IUPAC2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(c2ccc(Br)cc2)CNC1
InChIInChI=1S/C15H18BrN3/c1-19-9-8-18-14(19)6-7-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,8-9,17H,6-7,10-11H2,1H3
InChIKeyWYXYOZCRERCBEH-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.66
Rot. Bonds4

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

2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole (PubChem CID 114532872) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
PubChem CID114532872
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(c2ccc(Br)cc2)CNC1
InChIInChI=1S/C15H18BrN3/c1-19-9-8-18-14(19)6-7-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,8-9,17H,6-7,10-11H2,1H3
InChIKeyWYXYOZCRERCBEH-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
CID 23935984
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171533329
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole (CID 114532872) is 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole is Cn1ccnc1CCC1(c2ccc(Br)cc2)CNC1.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole?
The InChIKey is WYXYOZCRERCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-9-8-18-14(19)6-7-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,8-9,17H,6-7,10-11H2,1H3.
What are the key properties of 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole?
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole has a molecular weight of 320.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole is sourced from PubChem (CID 114532872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).