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

C14H15N3 — CID 116880113

IUPAC3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
SMILESCCc1ccc(-c2cnc(CCC#N)[nH]2)cc1
InChIInChI=1S/C14H15N3/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4H2,1H3,(H,16,17)
InChIKeyZIFPMXAXKUQKNY-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds4

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

3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile (PubChem CID 116880113) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
PubChem CID116880113
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
SMILESCCc1ccc(-c2cnc(CCC#N)[nH]2)cc1
InChIInChI=1S/C14H15N3/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4H2,1H3,(H,16,17)
InChIKeyZIFPMXAXKUQKNY-UHFFFAOYSA-N
XLogP3.10
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
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
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881749
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882538
1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882227
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880178
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile (CID 116880113) is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile is CCc1ccc(-c2cnc(CCC#N)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile?
The InChIKey is ZIFPMXAXKUQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile?
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile has a molecular weight of 225.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile is sourced from PubChem (CID 116880113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).