2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile

C15H11N5 — CID 61177175

IUPAC2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2ccnc2-c2ccc(N)cc2)c1
InChIInChI=1S/C15H11N5/c16-10-11-5-6-18-14(9-11)20-8-7-19-15(20)12-1-3-13(17)4-2-12/h1-9H,17H2
InChIKeyRNFQFXOWWALBIP-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.39
Rot. Bonds2

About 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile

2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile (PubChem CID 61177175) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile
PubChem CID61177175
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2ccnc2-c2ccc(N)cc2)c1
InChIInChI=1S/C15H11N5/c16-10-11-5-6-18-14(9-11)20-8-7-19-15(20)12-1-3-13(17)4-2-12/h1-9H,17H2
InChIKeyRNFQFXOWWALBIP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-aminophenyl)imidazol-1-yl]-2-chlorobenzonitrile
CID 62944907
4-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61177357
2-(5-amino-1,3-dihydroisoindol-2-yl)pyridine-4-carbonitrile
CID 66000521
6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
CID 64589204
2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 63338477
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487252
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 105367555
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
4-[1-(3-methoxypyrazin-2-yl)imidazol-2-yl]aniline
CID 104516274
4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline
CID 66319292
2-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile (CID 61177175) is 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-n2ccnc2-c2ccc(N)cc2)c1.
What is the InChIKey of 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is RNFQFXOWWALBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-10-11-5-6-18-14(9-11)20-8-7-19-15(20)12-1-3-13(17)4-2-12/h1-9H,17H2.
What are the key properties of 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile?
2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile 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 2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 61177175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).