4-propan-2-yl-2,5-dihydro-1H-imidazole

C6H12N2 — CID 22898642

IUPAC4-propan-2-yl-2,5-dihydro-1H-imidazole
SMILESCC(C)C1=NCNC1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-7-4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyFUMWNBINZQAGTI-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.64
Rot. Bonds1

About 4-propan-2-yl-2,5-dihydro-1H-imidazole

4-propan-2-yl-2,5-dihydro-1H-imidazole (PubChem CID 22898642) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-propan-2-yl-2,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-propan-2-yl-2,5-dihydro-1H-imidazole
PubChem CID22898642
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-propan-2-yl-2,5-dihydro-1H-imidazole
SMILESCC(C)C1=NCNC1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-7-4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyFUMWNBINZQAGTI-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5-dihydro-1H-imidazole?
The IUPAC name of 4-propan-2-yl-2,5-dihydro-1H-imidazole (CID 22898642) is 4-propan-2-yl-2,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-propan-2-yl-2,5-dihydro-1H-imidazole?
The canonical SMILES for 4-propan-2-yl-2,5-dihydro-1H-imidazole is CC(C)C1=NCNC1.
What is the InChIKey of 4-propan-2-yl-2,5-dihydro-1H-imidazole?
The InChIKey is FUMWNBINZQAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6-3-7-4-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,5-dihydro-1H-imidazole?
4-propan-2-yl-2,5-dihydro-1H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5-dihydro-1H-imidazole is sourced from PubChem (CID 22898642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).