methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole

C10H10F4N2 — CID 160947057

IUPACmethane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
SMILESC.Cc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2
InChIInChI=1S/C9H6F4N2.CH4/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8;/h1-2H3;1H4
InChIKeySVGJZZHCQZTNRF-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.02
Rot. Bonds

About methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole

methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole (PubChem CID 160947057) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole.

Molecular Properties

Compound Namemethane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
PubChem CID160947057
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Namemethane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
SMILESC.Cc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2
InChIInChI=1S/C9H6F4N2.CH4/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8;/h1-2H3;1H4
InChIKeySVGJZZHCQZTNRF-UHFFFAOYSA-N
XLogP2.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,5,6-Tetrafluoro-4,7-dimethylbenzimidazole
CID 67991292
5,6-Difluoro-2,2,4,7-tetramethylbenzimidazole
CID 117708794
5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
4-Fluoro-3,6-dimethyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diimine
CID 144482689
4,5-difluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 153668949
4,9-Difluoro-5,10-dimethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 159656311
4,5,6,7-tetramethyl-2H-benzimidazole
CID 21034549
4,6,7-Trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium
CID 147967586

Frequently Asked Questions

What is the IUPAC name of methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The IUPAC name of methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole (CID 160947057) is methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole.
What is the SMILES notation for methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The canonical SMILES for methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole is C.Cc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2.
What is the InChIKey of methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The InChIKey is SVGJZZHCQZTNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2.CH4/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8;/h1-2H3;1H4.
What are the key properties of methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole has a molecular weight of 234.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole is sourced from PubChem (CID 160947057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).