1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile

C12H5N5 — CID 112595092

IUPAC1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ccccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C12H5N5/c13-5-9-3-1-2-4-11(9)17-8-16-10(6-14)12(17)7-15/h1-4,8H
InChIKeyUMKVEWUSRWNLQK-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.49
Rot. Bonds1

About 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile

1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595092) has the molecular formula C12H5N5 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
PubChem CID112595092
Molecular FormulaC12H5N5
Molecular Weight219.21 g/mol
Exact Mass219.05
IUPAC Name1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ccccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C12H5N5/c13-5-9-3-1-2-4-11(9)17-8-16-10(6-14)12(17)7-15/h1-4,8H
InChIKeyUMKVEWUSRWNLQK-UHFFFAOYSA-N
XLogP1.49
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944700
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944844
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
2-(2-bromoimidazol-1-yl)benzonitrile
CID 83382745

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile (CID 112595092) is 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile is N#Cc1ccccc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile?
The InChIKey is UMKVEWUSRWNLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5N5/c13-5-9-3-1-2-4-11(9)17-8-16-10(6-14)12(17)7-15/h1-4,8H.
What are the key properties of 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile?
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile has a molecular weight of 219.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).