5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile

C11H10N4 — CID 14959004

IUPAC5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
SMILESCc1ccc(-n2cnc(C#N)c2N)cc1
InChIInChI=1S/C11H10N4/c1-8-2-4-9(5-3-8)15-7-14-10(6-12)11(15)13/h2-5,7H,13H2,1H3
InChIKeyNGPRLTISIOCNJB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile

5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile (PubChem CID 14959004) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
PubChem CID14959004
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
SMILESCc1ccc(-n2cnc(C#N)c2N)cc1
InChIInChI=1S/C11H10N4/c1-8-2-4-9(5-3-8)15-7-14-10(6-12)11(15)13/h2-5,7H,13H2,1H3
InChIKeyNGPRLTISIOCNJB-UHFFFAOYSA-N
XLogP1.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
CID 129452946
5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
CID 129453009
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
CID 10620700
5-amino-1-pyridin-2-ylimidazole-4-carbonitrile
CID 14710201
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
2-(4-methylphenyl)-5-oxo-1,2,4-triazine-6-carbonitrile
CID 4873717
azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile
CID 11652231
5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
CID 130019406
4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile
CID 952028
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
1-(5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595750
5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
CID 14953228

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile (CID 14959004) is 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile is Cc1ccc(-n2cnc(C#N)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile?
The InChIKey is NGPRLTISIOCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-2-4-9(5-3-8)15-7-14-10(6-12)11(15)13/h2-5,7H,13H2,1H3.
What are the key properties of 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile?
5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 14959004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).