5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile

C15H16N4O — CID 65336593

IUPAC5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc(C)n(C3CC3)c2N)cc1C#N
InChIInChI=1S/C15H16N4O/c1-9-18-14(15(17)19(9)12-4-5-12)10-3-6-13(20-2)11(7-10)8-16/h3,6-7,12H,4-5,17H2,1-2H3
InChIKeyIIEGURYDGADXOF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds3

About 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile

5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile (PubChem CID 65336593) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
PubChem CID65336593
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc(C)n(C3CC3)c2N)cc1C#N
InChIInChI=1S/C15H16N4O/c1-9-18-14(15(17)19(9)12-4-5-12)10-3-6-13(20-2)11(7-10)8-16/h3,6-7,12H,4-5,17H2,1-2H3
InChIKeyIIEGURYDGADXOF-UHFFFAOYSA-N
XLogP2.66
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile (CID 65336593) is 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile is COc1ccc(-c2nc(C)n(C3CC3)c2N)cc1C#N.
What is the InChIKey of 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile?
The InChIKey is IIEGURYDGADXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-18-14(15(17)19(9)12-4-5-12)10-3-6-13(20-2)11(7-10)8-16/h3,6-7,12H,4-5,17H2,1-2H3.
What are the key properties of 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile?
5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 65336593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).