4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile

C10H7F2N3 — CID 144724919

IUPAC4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile
SMILESCC1(C)N=c2c(F)cc(C#N)c(F)c2=N1
InChIInChI=1S/C10H7F2N3/c1-10(2)14-8-6(11)3-5(4-13)7(12)9(8)15-10/h3H,1-2H3
InChIKeyMCRFYOAVYIIILA-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.83
Rot. Bonds

About 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile

4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile (PubChem CID 144724919) has the molecular formula C10H7F2N3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile
PubChem CID144724919
Molecular FormulaC10H7F2N3
Molecular Weight207.18 g/mol
Exact Mass207.06
IUPAC Name4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile
SMILESCC1(C)N=c2c(F)cc(C#N)c(F)c2=N1
InChIInChI=1S/C10H7F2N3/c1-10(2)14-8-6(11)3-5(4-13)7(12)9(8)15-10/h3H,1-2H3
InChIKeyMCRFYOAVYIIILA-UHFFFAOYSA-N
XLogP0.83
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3,5-trifluorobenzonitrile
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CID 146962290
4-(tert-butylamino)-2,3,5-trifluorobenzonitrile
CID 178175300
2,4-difluoro-5-formyl-3-methylbenzonitrile
CID 139533736
4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
CID 88914315
4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
CID 169121751
2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile
CID 131467093
2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780
2,5-difluoro-3-methylsulfanylbenzonitrile
CID 117280034
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865
5-(4-aminobutyl)-2-fluoro-3-methylbenzonitrile
CID 90212561

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile?
The IUPAC name of 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile (CID 144724919) is 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile is CC1(C)N=c2c(F)cc(C#N)c(F)c2=N1.
What is the InChIKey of 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile?
The InChIKey is MCRFYOAVYIIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3/c1-10(2)14-8-6(11)3-5(4-13)7(12)9(8)15-10/h3H,1-2H3.
What are the key properties of 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile?
4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile has a molecular weight of 207.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-2,2-dimethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 144724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).