5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile

C11H7F2N3O — CID 116879938

IUPAC5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
SMILESCOc1cc(F)c(-c2cnc(C#N)[nH]2)cc1F
InChIInChI=1S/C11H7F2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-5-15-11(4-14)16-9/h2-3,5H,1H3,(H,15,16)
InChIKeyVZUFPPDQPBCUTO-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.24
Rot. Bonds2

About 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile

5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile (PubChem CID 116879938) has the molecular formula C11H7F2N3O and a molecular weight of 235.19 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
PubChem CID116879938
Molecular FormulaC11H7F2N3O
Molecular Weight235.19 g/mol
Exact Mass235.06
IUPAC Name5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
SMILESCOc1cc(F)c(-c2cnc(C#N)[nH]2)cc1F
InChIInChI=1S/C11H7F2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-5-15-11(4-14)16-9/h2-3,5H,1H3,(H,15,16)
InChIKeyVZUFPPDQPBCUTO-UHFFFAOYSA-N
XLogP2.24
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 116879961
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
CID 116879884
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 116879963
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
CID 59849538
5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
CID 67853105
5-(2,3-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 19427230
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116977036
4-bromo-5-(2,5-difluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858812
5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 14455635
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828429

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile (CID 116879938) is 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile is COc1cc(F)c(-c2cnc(C#N)[nH]2)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is VZUFPPDQPBCUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-5-15-11(4-14)16-9/h2-3,5H,1H3,(H,15,16).
What are the key properties of 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile?
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 235.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).