3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine

C15H13BrN4O — CID 114721634

IUPAC3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCOc1cc(-n2cncc2-c2cnccc2N)ccc1Br
InChIInChI=1S/C15H13BrN4O/c1-21-15-6-10(2-3-12(15)16)20-9-19-8-14(20)11-7-18-5-4-13(11)17/h2-9H,1H3,(H2,17,18)
InChIKeyYMOQAQFRWJBWHO-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.29
Rot. Bonds3

About 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114721634) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114721634
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCOc1cc(-n2cncc2-c2cnccc2N)ccc1Br
InChIInChI=1S/C15H13BrN4O/c1-21-15-6-10(2-3-12(15)16)20-9-19-8-14(20)11-7-18-5-4-13(11)17/h2-9H,1H3,(H2,17,18)
InChIKeyYMOQAQFRWJBWHO-UHFFFAOYSA-N
XLogP3.29
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114720772
3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717015
3-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657
3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717514
1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine
CID 82861144
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
3-[3-(2,5-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716803
2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721626
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine (CID 114721634) is 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine is COc1cc(-n2cncc2-c2cnccc2N)ccc1Br.
What is the InChIKey of 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is YMOQAQFRWJBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-15-6-10(2-3-12(15)16)20-9-19-8-14(20)11-7-18-5-4-13(11)17/h2-9H,1H3,(H2,17,18).
What are the key properties of 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 345.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114721634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).