5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile

C12H12N4O — CID 1481175

IUPAC5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile
SMILESCCOc1ccccc1-n1cnc(C#N)c1N
InChIInChI=1S/C12H12N4O/c1-2-17-11-6-4-3-5-10(11)16-8-15-9(7-13)12(16)14/h3-6,8H,2,14H2,1H3
InChIKeyYEPJRSJNIWBKIY-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile

5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile (PubChem CID 1481175) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile
PubChem CID1481175
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile
SMILESCCOc1ccccc1-n1cnc(C#N)c1N
InChIInChI=1S/C12H12N4O/c1-2-17-11-6-4-3-5-10(11)16-8-15-9(7-13)12(16)14/h3-6,8H,2,14H2,1H3
InChIKeyYEPJRSJNIWBKIY-UHFFFAOYSA-N
XLogP1.72
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(4-Butoxy-phenyl)-5-methyl-1H-imidazole
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[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-dimethyl-amine
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5-amino-1-(4-phenoxyphenyl)-1H-imidazole-4-carbonitrile
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3-(2-Methoxyphenyl)-3H-imidazo[4,5-b]pyridin-5-ol
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1-(2-methoxyphenyl)-1H-imidazole
CID 5305516
4H-Benzo[b]imidazo[1,2-d][1,4]oxazine-2-carbonitrile
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1-[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone
CID 659744
5-amino-1-(4-methoxyphenyl)-1H-imidazole-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile (CID 1481175) is 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile is CCOc1ccccc1-n1cnc(C#N)c1N.
What is the InChIKey of 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile?
The InChIKey is YEPJRSJNIWBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-17-11-6-4-3-5-10(11)16-8-15-9(7-13)12(16)14/h3-6,8H,2,14H2,1H3.
What are the key properties of 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile?
5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethoxyphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 1481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).