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

C15H11N5 — CID 114717129

IUPAC4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2cncc2-c2ccnc(N)c2)cc1
InChIInChI=1S/C15H11N5/c16-8-11-1-3-13(4-2-11)20-10-18-9-14(20)12-5-6-19-15(17)7-12/h1-7,9-10H,(H2,17,19)
InChIKeyWZCMQLWAFKIPOV-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.39
Rot. Bonds2

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

4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile (PubChem CID 114717129) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
PubChem CID114717129
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2cncc2-c2ccnc(N)c2)cc1
InChIInChI=1S/C15H11N5/c16-8-11-1-3-13(4-2-11)20-10-18-9-14(20)12-5-6-19-15(17)7-12/h1-7,9-10H,(H2,17,19)
InChIKeyWZCMQLWAFKIPOV-UHFFFAOYSA-N
XLogP2.39
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
CID 107802197
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
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
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114716657
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile?
The IUPAC name of 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile (CID 114717129) is 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile?
The canonical SMILES for 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile is N#Cc1ccc(-n2cncc2-c2ccnc(N)c2)cc1.
What is the InChIKey of 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile?
The InChIKey is WZCMQLWAFKIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-8-11-1-3-13(4-2-11)20-10-18-9-14(20)12-5-6-19-15(17)7-12/h1-7,9-10H,(H2,17,19).
What are the key properties of 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile?
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile is sourced from PubChem (CID 114717129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).