2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile

C15H10BrN5 — CID 107802197

IUPAC2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1-n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C15H10BrN5/c16-12-2-1-11(7-17)13(6-12)21-9-19-8-14(21)10-3-4-20-15(18)5-10/h1-6,8-9H,(H2,18,20)
InChIKeyNCBJNSDQQBSDJW-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.15
Rot. Bonds2

About 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile

2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile (PubChem CID 107802197) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
PubChem CID107802197
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC Name2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1-n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C15H10BrN5/c16-12-2-1-11(7-17)13(6-12)21-9-19-8-14(21)10-3-4-20-15(18)5-10/h1-6,8-9H,(H2,18,20)
InChIKeyNCBJNSDQQBSDJW-UHFFFAOYSA-N
XLogP3.15
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114716657
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile
CID 107802216
4-bromo-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802218
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
4-bromo-2-(1,2,4-triazol-4-yl)benzonitrile
CID 84706834
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile?
The IUPAC name of 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile (CID 107802197) is 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile.
What is the SMILES notation for 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile?
The canonical SMILES for 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1-n1cncc1-c1ccnc(N)c1.
What is the InChIKey of 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile?
The InChIKey is NCBJNSDQQBSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-12-2-1-11(7-17)13(6-12)21-9-19-8-14(21)10-3-4-20-15(18)5-10/h1-6,8-9H,(H2,18,20).
What are the key properties of 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile?
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile has a molecular weight of 340.18 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile is sourced from PubChem (CID 107802197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).