2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile

C16H19N3O — CID 116883139

IUPAC2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2cc(C)c(OC)cc2C)[nH]1
InChIInChI=1S/C16H19N3O/c1-5-12(8-17)16-18-9-14(19-16)13-6-11(3)15(20-4)7-10(13)2/h6-7,9,12H,5H2,1-4H3,(H,18,19)
InChIKeyFVTHAHCSCTVLBQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.72
Rot. Bonds4

About 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile

2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile (PubChem CID 116883139) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
PubChem CID116883139
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2cc(C)c(OC)cc2C)[nH]1
InChIInChI=1S/C16H19N3O/c1-5-12(8-17)16-18-9-14(19-16)13-6-11(3)15(20-4)7-10(13)2/h6-7,9,12H,5H2,1-4H3,(H,18,19)
InChIKeyFVTHAHCSCTVLBQ-UHFFFAOYSA-N
XLogP3.72
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
CID 116883197
2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
CID 116883109
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883190
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880034
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883116
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764
2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
CID 116884250
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile?
The IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile (CID 116883139) is 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile.
What is the SMILES notation for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile?
The canonical SMILES for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile is CCC(C#N)c1ncc(-c2cc(C)c(OC)cc2C)[nH]1.
What is the InChIKey of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile?
The InChIKey is FVTHAHCSCTVLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-5-12(8-17)16-18-9-14(19-16)13-6-11(3)15(20-4)7-10(13)2/h6-7,9,12H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile?
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile has a molecular weight of 269.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile is sourced from PubChem (CID 116883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).