5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile

C12H11N3 — CID 14455646

IUPAC5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
SMILESCCc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)11-8-14-12(7-13)15-11/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyZZOVSRZFQMQZDH-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.51
Rot. Bonds2

About 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile

5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile (PubChem CID 14455646) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
PubChem CID14455646
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
SMILESCCc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)11-8-14-12(7-13)15-11/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyZZOVSRZFQMQZDH-UHFFFAOYSA-N
XLogP2.51
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile (CID 14455646) is 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile is CCc1ccc(-c2cnc(C#N)[nH]2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is ZZOVSRZFQMQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)11-8-14-12(7-13)15-11/h3-6,8H,2H2,1H3,(H,14,15).
What are the key properties of 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile?
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 14455646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).