5-methyl-2,4-di(propan-2-yl)-1H-imidazole

C10H18N2 — CID 66803864

IUPAC5-methyl-2,4-di(propan-2-yl)-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1C(C)C
InChIInChI=1S/C10H18N2/c1-6(2)9-8(5)11-10(12-9)7(3)4/h6-7H,1-5H3,(H,11,12)
InChIKeyPPVHKMQSAHXFFG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-2,4-di(propan-2-yl)-1H-imidazole

5-methyl-2,4-di(propan-2-yl)-1H-imidazole (PubChem CID 66803864) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-methyl-2,4-di(propan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2,4-di(propan-2-yl)-1H-imidazole
PubChem CID66803864
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-methyl-2,4-di(propan-2-yl)-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1C(C)C
InChIInChI=1S/C10H18N2/c1-6(2)9-8(5)11-10(12-9)7(3)4/h6-7H,1-5H3,(H,11,12)
InChIKeyPPVHKMQSAHXFFG-UHFFFAOYSA-N
XLogP2.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-di(propan-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2,4-di(propan-2-yl)-1H-imidazole (CID 66803864) is 5-methyl-2,4-di(propan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2,4-di(propan-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2,4-di(propan-2-yl)-1H-imidazole is Cc1[nH]c(C(C)C)nc1C(C)C.
What is the InChIKey of 5-methyl-2,4-di(propan-2-yl)-1H-imidazole?
The InChIKey is PPVHKMQSAHXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6(2)9-8(5)11-10(12-9)7(3)4/h6-7H,1-5H3,(H,11,12).
What are the key properties of 5-methyl-2,4-di(propan-2-yl)-1H-imidazole?
5-methyl-2,4-di(propan-2-yl)-1H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-di(propan-2-yl)-1H-imidazole is sourced from PubChem (CID 66803864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).