4-propyl-2,3-dihydro-1H-imidazole

C6H12N2 — CID 89245730

IUPAC4-propyl-2,3-dihydro-1H-imidazole
SMILESCCCC1=CNCN1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-5-8-6/h4,7-8H,2-3,5H2,1H3
InChIKeyPELQANPWRVESDT-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds2

About 4-propyl-2,3-dihydro-1H-imidazole

4-propyl-2,3-dihydro-1H-imidazole (PubChem CID 89245730) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-propyl-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-propyl-2,3-dihydro-1H-imidazole
PubChem CID89245730
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-propyl-2,3-dihydro-1H-imidazole
SMILESCCCC1=CNCN1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-5-8-6/h4,7-8H,2-3,5H2,1H3
InChIKeyPELQANPWRVESDT-UHFFFAOYSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-propyl-2,3-dihydro-1H-imidazole (CID 89245730) is 4-propyl-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-propyl-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-propyl-2,3-dihydro-1H-imidazole is CCCC1=CNCN1.
What is the InChIKey of 4-propyl-2,3-dihydro-1H-imidazole?
The InChIKey is PELQANPWRVESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6-4-7-5-8-6/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 4-propyl-2,3-dihydro-1H-imidazole?
4-propyl-2,3-dihydro-1H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 89245730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).