4-propyl-4H-imidazole

C6H10N2 — CID 22890428

IUPAC4-propyl-4H-imidazole
SMILESCCCC1C=NC=N1
InChIInChI=1S/C6H10N2/c1-2-3-6-4-7-5-8-6/h4-6H,2-3H2,1H3
InChIKeyWFLTVBQYILPMQN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.27
Rot. Bonds2

About 4-propyl-4H-imidazole

4-propyl-4H-imidazole (PubChem CID 22890428) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-propyl-4H-imidazole.

Molecular Properties

Compound Name4-propyl-4H-imidazole
PubChem CID22890428
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-propyl-4H-imidazole
SMILESCCCC1C=NC=N1
InChIInChI=1S/C6H10N2/c1-2-3-6-4-7-5-8-6/h4-6H,2-3H2,1H3
InChIKeyWFLTVBQYILPMQN-UHFFFAOYSA-N
XLogP1.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-4H-imidazole?
The IUPAC name of 4-propyl-4H-imidazole (CID 22890428) is 4-propyl-4H-imidazole.
What is the SMILES notation for 4-propyl-4H-imidazole?
The canonical SMILES for 4-propyl-4H-imidazole is CCCC1C=NC=N1.
What is the InChIKey of 4-propyl-4H-imidazole?
The InChIKey is WFLTVBQYILPMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-6-4-7-5-8-6/h4-6H,2-3H2,1H3.
What are the key properties of 4-propyl-4H-imidazole?
4-propyl-4H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4H-imidazole is sourced from PubChem (CID 22890428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).