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

C14H16BrN3O2 — CID 114721626

IUPAC2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
SMILESCOc1cc(-n2cncc2C2CNCCO2)ccc1Br
InChIInChI=1S/C14H16BrN3O2/c1-19-13-6-10(2-3-11(13)15)18-9-17-7-12(18)14-8-16-4-5-20-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3
InChIKeyWCVONTCNAHVGGQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.30
Rot. Bonds3

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

2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine (PubChem CID 114721626) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
PubChem CID114721626
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
SMILESCOc1cc(-n2cncc2C2CNCCO2)ccc1Br
InChIInChI=1S/C14H16BrN3O2/c1-19-13-6-10(2-3-11(13)15)18-9-17-7-12(18)14-8-16-4-5-20-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3
InChIKeyWCVONTCNAHVGGQ-UHFFFAOYSA-N
XLogP2.30
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
CID 114716609
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
CID 114717769
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107470107
3-bromo-4-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107795804
2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
CID 114721560
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892
1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine
CID 82861144
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine (CID 114721626) is 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine is COc1cc(-n2cncc2C2CNCCO2)ccc1Br.
What is the InChIKey of 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine?
The InChIKey is WCVONTCNAHVGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-13-6-10(2-3-11(13)15)18-9-17-7-12(18)14-8-16-4-5-20-14/h2-3,6-7,9,14,16H,4-5,8H2,1H3.
What are the key properties of 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine?
2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine has a molecular weight of 338.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114721626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).