2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile

C6H2F2N4 — CID 67256645

IUPAC2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(C(F)F)[nH]c1C#N
InChIInChI=1S/C6H2F2N4/c7-5(8)6-11-3(1-9)4(2-10)12-6/h5H,(H,11,12)
InChIKeySSSOVMBSQKFOAV-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.09
Rot. Bonds1

About 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile

2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile (PubChem CID 67256645) has the molecular formula C6H2F2N4 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile
PubChem CID67256645
Molecular FormulaC6H2F2N4
Molecular Weight168.11 g/mol
Exact Mass168.02
IUPAC Name2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(C(F)F)[nH]c1C#N
InChIInChI=1S/C6H2F2N4/c7-5(8)6-11-3(1-9)4(2-10)12-6/h5H,(H,11,12)
InChIKeySSSOVMBSQKFOAV-UHFFFAOYSA-N
XLogP1.09
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 135840335
4,5-dicyano-1H-imidazole-2-carboxylic acid
CID 68756293
2-nitro-1H-imidazole-4,5-dicarbonitrile
CID 71623821
2-pentyl-1H-imidazole-4,5-dicarbonitrile
CID 66953159
1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea
CID 71385666
2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
CID 136623282
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 130076135
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile (CID 67256645) is 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(C(F)F)[nH]c1C#N.
What is the InChIKey of 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is SSSOVMBSQKFOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N4/c7-5(8)6-11-3(1-9)4(2-10)12-6/h5H,(H,11,12).
What are the key properties of 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile?
2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 168.11 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 67256645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).