2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine

C14H16BrN3O — CID 114716609

IUPAC2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
SMILESCc1cc(-n2cncc2C2CNCCO2)ccc1Br
InChIInChI=1S/C14H16BrN3O/c1-10-6-11(2-3-12(10)15)18-9-17-7-13(18)14-8-16-4-5-19-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3
InChIKeyJSMCTDPHCPFPQM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.60
Rot. Bonds2

About 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine

2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine (PubChem CID 114716609) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
PubChem CID114716609
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
SMILESCc1cc(-n2cncc2C2CNCCO2)ccc1Br
InChIInChI=1S/C14H16BrN3O/c1-10-6-11(2-3-12(10)15)18-9-17-7-13(18)14-8-16-4-5-19-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3
InChIKeyJSMCTDPHCPFPQM-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721626
2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
CID 114717769
3-bromo-4-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107795804
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
CID 114721560
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine (CID 114716609) is 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine is Cc1cc(-n2cncc2C2CNCCO2)ccc1Br.
What is the InChIKey of 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine?
The InChIKey is JSMCTDPHCPFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-6-11(2-3-12(10)15)18-9-17-7-13(18)14-8-16-4-5-19-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3.
What are the key properties of 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine?
2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine has a molecular weight of 322.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114716609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).