4,5-bis(2-methylpropyl)-1H-imidazole

C11H20N2 — CID 21321312

IUPAC4,5-bis(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1nc[nH]c1CC(C)C
InChIInChI=1S/C11H20N2/c1-8(2)5-10-11(6-9(3)4)13-7-12-10/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyXDDMDMUYHDGJJC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds4

About 4,5-bis(2-methylpropyl)-1H-imidazole

4,5-bis(2-methylpropyl)-1H-imidazole (PubChem CID 21321312) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4,5-bis(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2-methylpropyl)-1H-imidazole
PubChem CID21321312
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4,5-bis(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1nc[nH]c1CC(C)C
InChIInChI=1S/C11H20N2/c1-8(2)5-10-11(6-9(3)4)13-7-12-10/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyXDDMDMUYHDGJJC-UHFFFAOYSA-N
XLogP2.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methylpropyl)-1H-imidazole?
The IUPAC name of 4,5-bis(2-methylpropyl)-1H-imidazole (CID 21321312) is 4,5-bis(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(2-methylpropyl)-1H-imidazole is CC(C)Cc1nc[nH]c1CC(C)C.
What is the InChIKey of 4,5-bis(2-methylpropyl)-1H-imidazole?
The InChIKey is XDDMDMUYHDGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)5-10-11(6-9(3)4)13-7-12-10/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4,5-bis(2-methylpropyl)-1H-imidazole?
4,5-bis(2-methylpropyl)-1H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 21321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).