1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile

C15H15N5 — CID 115944844

IUPAC1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile
SMILESCCCNCc1ccccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C15H15N5/c1-2-7-18-10-12-5-3-4-6-14(12)20-11-19-13(8-16)15(20)9-17/h3-6,11,18H,2,7,10H2,1H3
InChIKeyYPYUOLSYZOJUMD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile

1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944844) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile
PubChem CID115944844
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile
SMILESCCCNCc1ccccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C15H15N5/c1-2-7-18-10-12-5-3-4-6-14(12)20-11-19-13(8-16)15(20)9-17/h3-6,11,18H,2,7,10H2,1H3
InChIKeyYPYUOLSYZOJUMD-UHFFFAOYSA-N
XLogP2.12
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81254929
1-[2-hydroxy-3-(propylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595078
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-[4-[(tert-butylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944857
1-[2-(aminomethyl)-6-chlorophenyl]imidazole-4,5-dicarbonitrile
CID 114069167
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62441973
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile (CID 115944844) is 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile is CCCNCc1ccccc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile?
The InChIKey is YPYUOLSYZOJUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-7-18-10-12-5-3-4-6-14(12)20-11-19-13(8-16)15(20)9-17/h3-6,11,18H,2,7,10H2,1H3.
What are the key properties of 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile?
1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).