3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile

C15H17N3O — CID 116880162

IUPAC3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
SMILESCC(C)Oc1ccc(-c2cnc(CCC#N)[nH]2)cc1
InChIInChI=1S/C15H17N3O/c1-11(2)19-13-7-5-12(6-8-13)14-10-17-15(18-14)4-3-9-16/h5-8,10-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyHICBDWYLBCNPFV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.32
Rot. Bonds5

About 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile

3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile (PubChem CID 116880162) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
PubChem CID116880162
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
SMILESCC(C)Oc1ccc(-c2cnc(CCC#N)[nH]2)cc1
InChIInChI=1S/C15H17N3O/c1-11(2)19-13-7-5-12(6-8-13)14-10-17-15(18-14)4-3-9-16/h5-8,10-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyHICBDWYLBCNPFV-UHFFFAOYSA-N
XLogP3.32
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880189
3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880138
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880178
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile (CID 116880162) is 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile is CC(C)Oc1ccc(-c2cnc(CCC#N)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile?
The InChIKey is HICBDWYLBCNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(2)19-13-7-5-12(6-8-13)14-10-17-15(18-14)4-3-9-16/h5-8,10-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile?
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile has a molecular weight of 255.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile is sourced from PubChem (CID 116880162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).