2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole

C14H11F2N4- — CID 102401857

IUPAC2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
SMILESCn1ccnc1-c1[c-]c(-c2nccn2C)c(F)cc1F
InChIInChI=1S/C14H11F2N4/c1-19-5-3-17-13(19)9-7-10(12(16)8-11(9)15)14-18-4-6-20(14)2/h3-6,8H,1-2H3/q-1
InChIKeyHUGCXQPUBUKZEE-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.57
Rot. Bonds2

About 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole

2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole (PubChem CID 102401857) has the molecular formula C14H11F2N4- and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
PubChem CID102401857
Molecular FormulaC14H11F2N4-
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
SMILESCn1ccnc1-c1[c-]c(-c2nccn2C)c(F)cc1F
InChIInChI=1S/C14H11F2N4/c1-19-5-3-17-13(19)9-7-10(12(16)8-11(9)15)14-18-4-6-20(14)2/h3-6,8H,1-2H3/q-1
InChIKeyHUGCXQPUBUKZEE-UHFFFAOYSA-N
XLogP2.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-[2-(1-methylimidazol-2-yl)ethenyl]imidazole
CID 54280679
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
1-[1-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030218
1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030220
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
4-fluoro-2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1-methylimidazole
CID 176566453
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
1,2-Bis(imidazol-1-yl-methylene)-benzene
CID 168477396

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole?
The IUPAC name of 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole (CID 102401857) is 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole.
What is the SMILES notation for 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole?
The canonical SMILES for 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole is Cn1ccnc1-c1[c-]c(-c2nccn2C)c(F)cc1F.
What is the InChIKey of 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole?
The InChIKey is HUGCXQPUBUKZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N4/c1-19-5-3-17-13(19)9-7-10(12(16)8-11(9)15)14-18-4-6-20(14)2/h3-6,8H,1-2H3/q-1.
What are the key properties of 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole?
2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole has a molecular weight of 273.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole is sourced from PubChem (CID 102401857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).