5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile

C11H18N4 — CID 58500135

IUPAC5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile
SMILESCCCc1nc(C#N)c(N)n1CC(C)C
InChIInChI=1S/C11H18N4/c1-4-5-10-14-9(6-12)11(13)15(10)7-8(2)3/h8H,4-5,7,13H2,1-3H3
InChIKeyRTRBFWFMOFEZNI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds4

About 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile

5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile (PubChem CID 58500135) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile
PubChem CID58500135
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile
SMILESCCCc1nc(C#N)c(N)n1CC(C)C
InChIInChI=1S/C11H18N4/c1-4-5-10-14-9(6-12)11(13)15(10)7-8(2)3/h8H,4-5,7,13H2,1-3H3
InChIKeyRTRBFWFMOFEZNI-UHFFFAOYSA-N
XLogP1.95
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile (CID 58500135) is 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile is CCCc1nc(C#N)c(N)n1CC(C)C.
What is the InChIKey of 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile?
The InChIKey is RTRBFWFMOFEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-5-10-14-9(6-12)11(13)15(10)7-8(2)3/h8H,4-5,7,13H2,1-3H3.
What are the key properties of 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile?
5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropyl)-2-propylimidazole-4-carbonitrile is sourced from PubChem (CID 58500135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).