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

C15H13BrN4O — CID 114720752

IUPAC4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCOc1ccc(-n2cncc2-c2ccnc(N)c2)cc1Br
InChIInChI=1S/C15H13BrN4O/c1-21-14-3-2-11(7-12(14)16)20-9-18-8-13(20)10-4-5-19-15(17)6-10/h2-9H,1H3,(H2,17,19)
InChIKeyBRUVHASVZVXXJP-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.29
Rot. Bonds3

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

4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720752) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720752
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCOc1ccc(-n2cncc2-c2ccnc(N)c2)cc1Br
InChIInChI=1S/C15H13BrN4O/c1-21-14-3-2-11(7-12(14)16)20-9-18-8-13(20)10-4-5-19-15(17)6-10/h2-9H,1H3,(H2,17,19)
InChIKeyBRUVHASVZVXXJP-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

4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721634
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114716657
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
CID 107802197

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine (CID 114720752) is 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine is COc1ccc(-n2cncc2-c2ccnc(N)c2)cc1Br.
What is the InChIKey of 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is BRUVHASVZVXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-14-3-2-11(7-12(14)16)20-9-18-8-13(20)10-4-5-19-15(17)6-10/h2-9H,1H3,(H2,17,19).
What are the key properties of 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-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 4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).