5-ethenyl-6,7-difluoro-1-methylbenzimidazole

C10H8F2N2 — CID 147522970

IUPAC5-ethenyl-6,7-difluoro-1-methylbenzimidazole
SMILESC=Cc1cc2ncn(C)c2c(F)c1F
InChIInChI=1S/C10H8F2N2/c1-3-6-4-7-10(9(12)8(6)11)14(2)5-13-7/h3-5H,1H2,2H3
InChIKeyFLNITVFHVJOLPZ-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.49
Rot. Bonds1

About 5-ethenyl-6,7-difluoro-1-methylbenzimidazole

5-ethenyl-6,7-difluoro-1-methylbenzimidazole (PubChem CID 147522970) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 5-ethenyl-6,7-difluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name5-ethenyl-6,7-difluoro-1-methylbenzimidazole
PubChem CID147522970
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name5-ethenyl-6,7-difluoro-1-methylbenzimidazole
SMILESC=Cc1cc2ncn(C)c2c(F)c1F
InChIInChI=1S/C10H8F2N2/c1-3-6-4-7-10(9(12)8(6)11)14(2)5-13-7/h3-5H,1H2,2H3
InChIKeyFLNITVFHVJOLPZ-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-1,5-dimethylbenzimidazole
CID 118920615
4,5,6,7-tetrafluoro-1-methylbenzimidazole
CID 122222869
6-chloro-3-methylbenzimidazole-4-carbaldehyde
CID 83879166
5-ethenyl-3-methylimidazo[4,5-b]pyridine
CID 178059890
6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole
CID 146550378
1,6,7-trimethylbenzimidazole
CID 83449271
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
5-ethenyl-1-ethyl-6-fluorobenzotriazole
CID 152936015
2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde
CID 83900622
4,6-difluoro-1-methylbenzimidazole-5-carbaldehyde;5-ethenyl-4,6-difluoro-1-methylbenzimidazole;methane
CID 144737457
1-[3-[4-amino-3-[2-(6,7-difluoro-1-methylbenzimidazol-5-yl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 170388805
4-chloro-3-methylbenzimidazol-5-amine
CID 141167307

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6,7-difluoro-1-methylbenzimidazole?
The IUPAC name of 5-ethenyl-6,7-difluoro-1-methylbenzimidazole (CID 147522970) is 5-ethenyl-6,7-difluoro-1-methylbenzimidazole.
What is the SMILES notation for 5-ethenyl-6,7-difluoro-1-methylbenzimidazole?
The canonical SMILES for 5-ethenyl-6,7-difluoro-1-methylbenzimidazole is C=Cc1cc2ncn(C)c2c(F)c1F.
What is the InChIKey of 5-ethenyl-6,7-difluoro-1-methylbenzimidazole?
The InChIKey is FLNITVFHVJOLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c1-3-6-4-7-10(9(12)8(6)11)14(2)5-13-7/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-6,7-difluoro-1-methylbenzimidazole?
5-ethenyl-6,7-difluoro-1-methylbenzimidazole has a molecular weight of 194.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6,7-difluoro-1-methylbenzimidazole is sourced from PubChem (CID 147522970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).