1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole

C10H12F2N4 — CID 56789700

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2nccn2C(F)F)c1C
InChIInChI=1S/C10H12F2N4/c1-7-8(2)15(6-14-7)5-9-13-3-4-16(9)10(11)12/h3-4,6,10H,5H2,1-2H3
InChIKeyMEJAGGGIZOHTKL-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.14
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole (PubChem CID 56789700) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole
PubChem CID56789700
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2nccn2C(F)F)c1C
InChIInChI=1S/C10H12F2N4/c1-7-8(2)15(6-14-7)5-9-13-3-4-16(9)10(11)12/h3-4,6,10H,5H2,1-2H3
InChIKeyMEJAGGGIZOHTKL-UHFFFAOYSA-N
XLogP2.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
5-Allyl-2-propyl-1-[3-(2-propylimidazol-1-yl)propyl]imidazole
CID 44139808
3-Methyl-2-(1-methylimidazol-2-yl)imidazole-4-carbonitrile
CID 44339833
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149
1H-Imidazole, 1-(difluoromethyl)-5-methyl-
CID 119094150
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
methyl({[1-methyl-5-(trifluoromethyl)-1H-imidazol-2-yl]methyl})amine dihydrochloride
CID 137966030
N-bromodifluoromethyl-2-methylimidazole
CID 129862249
1,2,4-Trimethyl-1H-imidazole
CID 14717865
1,2,5-Trimethyl-1H-imidazole
CID 19430196
1H-Imidazole, 2,4-dimethyl-1-(1-methylethyl)-
CID 22891709

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole (CID 56789700) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole is Cc1ncn(Cc2nccn2C(F)F)c1C.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole?
The InChIKey is MEJAGGGIZOHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-7-8(2)15(6-14-7)5-9-13-3-4-16(9)10(11)12/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole has a molecular weight of 226.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 56789700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).