2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole

C17H20F2N4 — CID 22181669

IUPAC2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole
SMILESCCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C
InChIInChI=1S/C17H20F2N4/c1-4-23-13(3)12(2)21-15(23)11-22-10-9-20-16(22)17(19)7-5-14(18)6-8-17/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyRYHRWTNDRXHMRA-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.74
Rot. Bonds4

About 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole

2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole (PubChem CID 22181669) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole
PubChem CID22181669
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole
SMILESCCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C
InChIInChI=1S/C17H20F2N4/c1-4-23-13(3)12(2)21-15(23)11-22-10-9-20-16(22)17(19)7-5-14(18)6-8-17/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyRYHRWTNDRXHMRA-UHFFFAOYSA-N
XLogP3.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole?
The IUPAC name of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole (CID 22181669) is 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole.
What is the SMILES notation for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole?
The canonical SMILES for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole is CCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C.
What is the InChIKey of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole?
The InChIKey is RYHRWTNDRXHMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-4-23-13(3)12(2)21-15(23)11-22-10-9-20-16(22)17(19)7-5-14(18)6-8-17/h5-7,9-10H,4,8,11H2,1-3H3.
What are the key properties of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole?
2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole has a molecular weight of 318.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole is sourced from PubChem (CID 22181669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).