3-propan-2-yl-2,4-dihydroimidazole

C6H12N2 — CID 57067726

IUPAC3-propan-2-yl-2,4-dihydroimidazole
SMILESCC(C)N1CC=NC1
InChIInChI=1S/C6H12N2/c1-6(2)8-4-3-7-5-8/h3,6H,4-5H2,1-2H3
InChIKeyGPWVQJJKVWPEHL-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds1

About 3-propan-2-yl-2,4-dihydroimidazole

3-propan-2-yl-2,4-dihydroimidazole (PubChem CID 57067726) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-propan-2-yl-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-propan-2-yl-2,4-dihydroimidazole
PubChem CID57067726
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-propan-2-yl-2,4-dihydroimidazole
SMILESCC(C)N1CC=NC1
InChIInChI=1S/C6H12N2/c1-6(2)8-4-3-7-5-8/h3,6H,4-5H2,1-2H3
InChIKeyGPWVQJJKVWPEHL-UHFFFAOYSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,4-dihydroimidazole?
The IUPAC name of 3-propan-2-yl-2,4-dihydroimidazole (CID 57067726) is 3-propan-2-yl-2,4-dihydroimidazole.
What is the SMILES notation for 3-propan-2-yl-2,4-dihydroimidazole?
The canonical SMILES for 3-propan-2-yl-2,4-dihydroimidazole is CC(C)N1CC=NC1.
What is the InChIKey of 3-propan-2-yl-2,4-dihydroimidazole?
The InChIKey is GPWVQJJKVWPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)8-4-3-7-5-8/h3,6H,4-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,4-dihydroimidazole?
3-propan-2-yl-2,4-dihydroimidazole has a molecular weight of 112.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,4-dihydroimidazole is sourced from PubChem (CID 57067726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).