4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole

C10H8F2N6 — CID 173087368

IUPAC4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole
SMILESCc1nc(-c2nc(F)c(F)[nH]2)cn1-c1ncc[nH]1
InChIInChI=1S/C10H8F2N6/c1-5-15-6(9-16-7(11)8(12)17-9)4-18(5)10-13-2-3-14-10/h2-4H,1H3,(H,13,14)(H,16,17)
InChIKeyPWJPGNRQNCNFRY-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.57
Rot. Bonds2

About 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole

4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole (PubChem CID 173087368) has the molecular formula C10H8F2N6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole.

Molecular Properties

Compound Name4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole
PubChem CID173087368
Molecular FormulaC10H8F2N6
Molecular Weight250.21 g/mol
Exact Mass250.08
IUPAC Name4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole
SMILESCc1nc(-c2nc(F)c(F)[nH]2)cn1-c1ncc[nH]1
InChIInChI=1S/C10H8F2N6/c1-5-15-6(9-16-7(11)8(12)17-9)4-18(5)10-13-2-3-14-10/h2-4H,1H3,(H,13,14)(H,16,17)
InChIKeyPWJPGNRQNCNFRY-UHFFFAOYSA-N
XLogP1.57
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
4-Amino-5-(imidazol-2-yl)imidazole
CID 126356
5'-methyl-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70787208
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
ethene;5-(2-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 144159765

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole?
The IUPAC name of 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole (CID 173087368) is 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole.
What is the SMILES notation for 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole?
The canonical SMILES for 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole is Cc1nc(-c2nc(F)c(F)[nH]2)cn1-c1ncc[nH]1.
What is the InChIKey of 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole?
The InChIKey is PWJPGNRQNCNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6/c1-5-15-6(9-16-7(11)8(12)17-9)4-18(5)10-13-2-3-14-10/h2-4H,1H3,(H,13,14)(H,16,17).
What are the key properties of 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole?
4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole has a molecular weight of 250.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole is sourced from PubChem (CID 173087368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).