5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile

C14H15N3O2 — CID 116879961

IUPAC5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile
SMILESCOc1cc(-c2cnc(C#N)[nH]2)c(OC)c(C)c1C
InChIInChI=1S/C14H15N3O2/c1-8-9(2)14(19-4)10(5-12(8)18-3)11-7-16-13(6-15)17-11/h5,7H,1-4H3,(H,16,17)
InChIKeyMMWOUIBLVPOYDD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds3

About 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile

5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile (PubChem CID 116879961) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile
PubChem CID116879961
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile
SMILESCOc1cc(-c2cnc(C#N)[nH]2)c(OC)c(C)c1C
InChIInChI=1S/C14H15N3O2/c1-8-9(2)14(19-4)10(5-12(8)18-3)11-7-16-13(6-15)17-11/h5,7H,1-4H3,(H,16,17)
InChIKeyMMWOUIBLVPOYDD-UHFFFAOYSA-N
XLogP2.58
TPSA70.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
CID 116879386
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879938
5-(2,3-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 19427230
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
CID 116900932
5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 14455635
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 116879963
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
CID 116879884
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
5-(2,4-dimethoxy-3-methylphenyl)-1H-pyrazole-3-carbonitrile
CID 116858553

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile (CID 116879961) is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile is COc1cc(-c2cnc(C#N)[nH]2)c(OC)c(C)c1C.
What is the InChIKey of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is MMWOUIBLVPOYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-9(2)14(19-4)10(5-12(8)18-3)11-7-16-13(6-15)17-11/h5,7H,1-4H3,(H,16,17).
What are the key properties of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile?
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).