1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile

C7H3F3N4 — CID 123820604

IUPAC1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile
SMILESCn1c(C(F)(F)F)nc(C#N)c1C#N
InChIInChI=1S/C7H3F3N4/c1-14-5(3-12)4(2-11)13-6(14)7(8,9)10/h1H3
InChIKeyWLVAVLBDNVOVAV-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.18
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile

1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile (PubChem CID 123820604) has the molecular formula C7H3F3N4 and a molecular weight of 200.12 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile
PubChem CID123820604
Molecular FormulaC7H3F3N4
Molecular Weight200.12 g/mol
Exact Mass200.03
IUPAC Name1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile
SMILESCn1c(C(F)(F)F)nc(C#N)c1C#N
InChIInChI=1S/C7H3F3N4/c1-14-5(3-12)4(2-11)13-6(14)7(8,9)10/h1H3
InChIKeyWLVAVLBDNVOVAV-UHFFFAOYSA-N
XLogP1.18
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile (CID 123820604) is 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile is Cn1c(C(F)(F)F)nc(C#N)c1C#N.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is WLVAVLBDNVOVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4/c1-14-5(3-12)4(2-11)13-6(14)7(8,9)10/h1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 200.12 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 123820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).