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

C10H20N2 — CID 167199402

IUPAC3-methyl-1,4-di(propan-2-yl)-2H-imidazole
SMILESCC(C)C1=CN(C(C)C)CN1C
InChIInChI=1S/C10H20N2/c1-8(2)10-6-12(9(3)4)7-11(10)5/h6,8-9H,7H2,1-5H3
InChIKeyFJBFAZPODQUASL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.10
Rot. Bonds2

About 3-methyl-1,4-di(propan-2-yl)-2H-imidazole

3-methyl-1,4-di(propan-2-yl)-2H-imidazole (PubChem CID 167199402) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1,4-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name3-methyl-1,4-di(propan-2-yl)-2H-imidazole
PubChem CID167199402
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-methyl-1,4-di(propan-2-yl)-2H-imidazole
SMILESCC(C)C1=CN(C(C)C)CN1C
InChIInChI=1S/C10H20N2/c1-8(2)10-6-12(9(3)4)7-11(10)5/h6,8-9H,7H2,1-5H3
InChIKeyFJBFAZPODQUASL-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 3-methyl-1,4-di(propan-2-yl)-2H-imidazole (CID 167199402) is 3-methyl-1,4-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 3-methyl-1,4-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 3-methyl-1,4-di(propan-2-yl)-2H-imidazole is CC(C)C1=CN(C(C)C)CN1C.
What is the InChIKey of 3-methyl-1,4-di(propan-2-yl)-2H-imidazole?
The InChIKey is FJBFAZPODQUASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)10-6-12(9(3)4)7-11(10)5/h6,8-9H,7H2,1-5H3.
What are the key properties of 3-methyl-1,4-di(propan-2-yl)-2H-imidazole?
3-methyl-1,4-di(propan-2-yl)-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 167199402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).