3-(2-methylpropyl)-1,2-dihydroimidazole

C7H14N2 — CID 69223237

IUPAC3-(2-methylpropyl)-1,2-dihydroimidazole
SMILESCC(C)CN1C=CNC1
InChIInChI=1S/C7H14N2/c1-7(2)5-9-4-3-8-6-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyNMTWMLSRZNTRIZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds2

About 3-(2-methylpropyl)-1,2-dihydroimidazole

3-(2-methylpropyl)-1,2-dihydroimidazole (PubChem CID 69223237) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,2-dihydroimidazole
PubChem CID69223237
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-(2-methylpropyl)-1,2-dihydroimidazole
SMILESCC(C)CN1C=CNC1
InChIInChI=1S/C7H14N2/c1-7(2)5-9-4-3-8-6-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyNMTWMLSRZNTRIZ-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(2-methylpropyl)-1,2-dihydroimidazole (CID 69223237) is 3-(2-methylpropyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(2-methylpropyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(2-methylpropyl)-1,2-dihydroimidazole is CC(C)CN1C=CNC1.
What is the InChIKey of 3-(2-methylpropyl)-1,2-dihydroimidazole?
The InChIKey is NMTWMLSRZNTRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)5-9-4-3-8-6-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,2-dihydroimidazole?
3-(2-methylpropyl)-1,2-dihydroimidazole has a molecular weight of 126.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,2-dihydroimidazole is sourced from PubChem (CID 69223237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).