1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile

C7H8FN3 — CID 139378922

IUPAC1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile
SMILESCCn1c(C)nc(C#N)c1F
InChIInChI=1S/C7H8FN3/c1-3-11-5(2)10-6(4-9)7(11)8/h3H2,1-2H3
InChIKeyOLGREJMZHKQADP-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.22
Rot. Bonds1

About 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile

1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile (PubChem CID 139378922) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile
PubChem CID139378922
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile
SMILESCCn1c(C)nc(C#N)c1F
InChIInChI=1S/C7H8FN3/c1-3-11-5(2)10-6(4-9)7(11)8/h3H2,1-2H3
InChIKeyOLGREJMZHKQADP-UHFFFAOYSA-N
XLogP1.22
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560
(E)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylethanimidamide
CID 145913165
2-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
2-Fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 155932247
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
5-amino-1,2-dimethyl-1H-imidazole-4-carbonitrile
CID 12730732
1-Ethyl trimethylimidazole
CID 24871657

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile?
The IUPAC name of 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile (CID 139378922) is 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile.
What is the SMILES notation for 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile?
The canonical SMILES for 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile is CCn1c(C)nc(C#N)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile?
The InChIKey is OLGREJMZHKQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3/c1-3-11-5(2)10-6(4-9)7(11)8/h3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile?
1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile has a molecular weight of 153.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-methylimidazole-4-carbonitrile is sourced from PubChem (CID 139378922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).