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

C7H9N3 — CID 57182484

IUPAC2-propyl-1H-imidazole-5-carbonitrile
SMILESCCCc1ncc(C#N)[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-3H2,1H3,(H,9,10)
InChIKeyXBNCOXPOWTWNCI-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.23
Rot. Bonds2

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

2-propyl-1H-imidazole-5-carbonitrile (PubChem CID 57182484) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-propyl-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-propyl-1H-imidazole-5-carbonitrile
PubChem CID57182484
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-propyl-1H-imidazole-5-carbonitrile
SMILESCCCc1ncc(C#N)[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-3H2,1H3,(H,9,10)
InChIKeyXBNCOXPOWTWNCI-UHFFFAOYSA-N
XLogP1.23
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-propyl-1H-imidazole-5-carbonitrile (CID 57182484) is 2-propyl-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-propyl-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-propyl-1H-imidazole-5-carbonitrile is CCCc1ncc(C#N)[nH]1.
What is the InChIKey of 2-propyl-1H-imidazole-5-carbonitrile?
The InChIKey is XBNCOXPOWTWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-propyl-1H-imidazole-5-carbonitrile?
2-propyl-1H-imidazole-5-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 57182484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).