2-propyl-4,5-dihydro-1H-imidazole

C6H12N2 — CID 27291

IUPAC2-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1=NCCN1
InChIInChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyLFCYHAXVBWPGQR-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.79
Rot. Bonds2

About 2-propyl-4,5-dihydro-1H-imidazole

2-propyl-4,5-dihydro-1H-imidazole (PubChem CID 27291) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-propyl-4,5-dihydro-1H-imidazole
PubChem CID27291
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1=NCCN1
InChIInChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyLFCYHAXVBWPGQR-UHFFFAOYSA-N
XLogP0.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylimidazoline
CID 10798
2-Imidazoline, 2-ethyl-
CID 13590
2-Butyl-2-imidazoline
CID 25284
1H-Imidazole, 2-ethyl-4,5-dihydro-5-methyl-
CID 13604
4,5-Dihydro-2-pentyl-1H-imidazole
CID 12782
1H-Imidazole, 4,5-dihydro-2,5-dimethyl-
CID 102522
2-Imidazoline, 2-hexyl-
CID 34370
2-[(4S)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]ethanamine;hydrobromide
CID 136184122
Imidazole, 4,5-dihydro-2-pentyl-, hydrochloride
CID 3053438
N-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 136277051
N-methylpyrrolidin-2-imine;hydroiodide
CID 136609989
2-Isobutyl-2-imidazoline
CID 12587213

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-propyl-4,5-dihydro-1H-imidazole (CID 27291) is 2-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-propyl-4,5-dihydro-1H-imidazole is CCCC1=NCCN1.
What is the InChIKey of 2-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is LFCYHAXVBWPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of 2-propyl-4,5-dihydro-1H-imidazole?
2-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 27291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).