4,5-di(propan-2-yl)-4H-imidazole;ethane

C11H22N2 — CID 157348489

IUPAC4,5-di(propan-2-yl)-4H-imidazole;ethane
SMILESCC.CC(C)C1=NC=NC1C(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5-8H,1-4H3;1-2H3
InChIKeyBHGGFPGUDTYYDU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.18
Rot. Bonds2

About 4,5-di(propan-2-yl)-4H-imidazole;ethane

4,5-di(propan-2-yl)-4H-imidazole;ethane (PubChem CID 157348489) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-4H-imidazole;ethane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-4H-imidazole;ethane
PubChem CID157348489
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4,5-di(propan-2-yl)-4H-imidazole;ethane
SMILESCC.CC(C)C1=NC=NC1C(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5-8H,1-4H3;1-2H3
InChIKeyBHGGFPGUDTYYDU-UHFFFAOYSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-propan-2-yl-4H-pyrimidine-4,5,6-triamine
CID 154501816
1,5-di(propan-2-yl)-2,5-dihydro-1,2,4-triazin-6-one
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2-(2-propan-2-yl-3H-pyrrol-3-yl)propane-1-thiol
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4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-4H-imidazole;ethane?
The IUPAC name of 4,5-di(propan-2-yl)-4H-imidazole;ethane (CID 157348489) is 4,5-di(propan-2-yl)-4H-imidazole;ethane.
What is the SMILES notation for 4,5-di(propan-2-yl)-4H-imidazole;ethane?
The canonical SMILES for 4,5-di(propan-2-yl)-4H-imidazole;ethane is CC.CC(C)C1=NC=NC1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-4H-imidazole;ethane?
The InChIKey is BHGGFPGUDTYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 4,5-di(propan-2-yl)-4H-imidazole;ethane?
4,5-di(propan-2-yl)-4H-imidazole;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-4H-imidazole;ethane is sourced from PubChem (CID 157348489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).