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

C8H14N2 — CID 15724089

IUPAC2,5-dimethyl-4-propan-2-yl-1H-imidazole
SMILESCc1nc(C(C)C)c(C)[nH]1
InChIInChI=1S/C8H14N2/c1-5(2)8-6(3)9-7(4)10-8/h5H,1-4H3,(H,9,10)
InChIKeyZKBYAEJWKFPNDI-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.15
Rot. Bonds1

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

2,5-dimethyl-4-propan-2-yl-1H-imidazole (PubChem CID 15724089) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1H-imidazole
PubChem CID15724089
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,5-dimethyl-4-propan-2-yl-1H-imidazole
SMILESCc1nc(C(C)C)c(C)[nH]1
InChIInChI=1S/C8H14N2/c1-5(2)8-6(3)9-7(4)10-8/h5H,1-4H3,(H,9,10)
InChIKeyZKBYAEJWKFPNDI-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-imidazole?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-imidazole (CID 15724089) is 2,5-dimethyl-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1H-imidazole is Cc1nc(C(C)C)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1H-imidazole?
The InChIKey is ZKBYAEJWKFPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5(2)8-6(3)9-7(4)10-8/h5H,1-4H3,(H,9,10).
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1H-imidazole?
2,5-dimethyl-4-propan-2-yl-1H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 15724089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).