3-propyl-1,2-dihydroimidazole

C6H12N2 — CID 66765033

IUPAC3-propyl-1,2-dihydroimidazole
SMILESCCCN1C=CNC1
InChIInChI=1S/C6H12N2/c1-2-4-8-5-3-7-6-8/h3,5,7H,2,4,6H2,1H3
InChIKeyNFLBVTABMOUJST-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds2

About 3-propyl-1,2-dihydroimidazole

3-propyl-1,2-dihydroimidazole (PubChem CID 66765033) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-propyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-propyl-1,2-dihydroimidazole
PubChem CID66765033
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-propyl-1,2-dihydroimidazole
SMILESCCCN1C=CNC1
InChIInChI=1S/C6H12N2/c1-2-4-8-5-3-7-6-8/h3,5,7H,2,4,6H2,1H3
InChIKeyNFLBVTABMOUJST-UHFFFAOYSA-N
XLogP0.73
TPSA15.27 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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3-butyl-1,2-dihydroimidazole);dihydrochloride
CID 175338253
2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
CID 174341845
3-(2-methylpropyl)-1,2-dihydroimidazole
CID 69223237
3-(3-methylbut-2-enyl)-1,2-dihydroimidazole
CID 90728024
3-[2-(1,2-dihydroimidazol-3-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 146519519
2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane
CID 135015866
azane;3-methyl-1,2-dihydroimidazole
CID 174558562
1,2-dihydroimidazol-3-ylmethanesulfinate
CID 174805495
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
3-(difluoromethyl)-1,2-dihydroimidazole
CID 175316138

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-dihydroimidazole?
The IUPAC name of 3-propyl-1,2-dihydroimidazole (CID 66765033) is 3-propyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-propyl-1,2-dihydroimidazole?
The canonical SMILES for 3-propyl-1,2-dihydroimidazole is CCCN1C=CNC1.
What is the InChIKey of 3-propyl-1,2-dihydroimidazole?
The InChIKey is NFLBVTABMOUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-4-8-5-3-7-6-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 3-propyl-1,2-dihydroimidazole?
3-propyl-1,2-dihydroimidazole has a molecular weight of 112.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-dihydroimidazole is sourced from PubChem (CID 66765033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).