5-methyl-4-propyl-1H-imidazole-2-carbonitrile

C8H11N3 — CID 54549851

IUPAC5-methyl-4-propyl-1H-imidazole-2-carbonitrile
SMILESCCCc1nc(C#N)[nH]c1C
InChIInChI=1S/C8H11N3/c1-3-4-7-6(2)10-8(5-9)11-7/h3-4H2,1-2H3,(H,10,11)
InChIKeyZJDKPLGZKDTNRT-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.54
Rot. Bonds2

About 5-methyl-4-propyl-1H-imidazole-2-carbonitrile

5-methyl-4-propyl-1H-imidazole-2-carbonitrile (PubChem CID 54549851) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-methyl-4-propyl-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-propyl-1H-imidazole-2-carbonitrile
PubChem CID54549851
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-methyl-4-propyl-1H-imidazole-2-carbonitrile
SMILESCCCc1nc(C#N)[nH]c1C
InChIInChI=1S/C8H11N3/c1-3-4-7-6(2)10-8(5-9)11-7/h3-4H2,1-2H3,(H,10,11)
InChIKeyZJDKPLGZKDTNRT-UHFFFAOYSA-N
XLogP1.54
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propyl-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-methyl-4-propyl-1H-imidazole-2-carbonitrile (CID 54549851) is 5-methyl-4-propyl-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-methyl-4-propyl-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-methyl-4-propyl-1H-imidazole-2-carbonitrile is CCCc1nc(C#N)[nH]c1C.
What is the InChIKey of 5-methyl-4-propyl-1H-imidazole-2-carbonitrile?
The InChIKey is ZJDKPLGZKDTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-7-6(2)10-8(5-9)11-7/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-4-propyl-1H-imidazole-2-carbonitrile?
5-methyl-4-propyl-1H-imidazole-2-carbonitrile has a molecular weight of 149.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propyl-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 54549851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).