4-tert-butyl-3-methyl-1,2-dihydroimidazole

C8H16N2 — CID 59788754

IUPAC4-tert-butyl-3-methyl-1,2-dihydroimidazole
SMILESCN1CNC=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-9-6-10(7)4/h5,9H,6H2,1-4H3
InChIKeyAAFDDIHOBZFABD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds

About 4-tert-butyl-3-methyl-1,2-dihydroimidazole

4-tert-butyl-3-methyl-1,2-dihydroimidazole (PubChem CID 59788754) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1,2-dihydroimidazole
PubChem CID59788754
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-tert-butyl-3-methyl-1,2-dihydroimidazole
SMILESCN1CNC=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-9-6-10(7)4/h5,9H,6H2,1-4H3
InChIKeyAAFDDIHOBZFABD-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3845354
Nhgabqwkthvjmr-uhfffaoysa-
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CID 12519160
4-tert-butyl-3-propan-2-yl-1H-imidazole-2-thione
CID 22915003
4-Tert-butyl-2-methylidene-1,3-dihydroimidazole
CID 57943177
2,4-Ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole
CID 59616848
4-(2,2-Dimethylpropyl)-2-methylidene-1,3-dihydroimidazole
CID 59751500
4-butyl-3-methyl-2-methylidene-1H-imidazole
CID 69014805
4-Butyl-3-methyl-1,2-dihydroimidazole
CID 69998566
3-Ethyl-5-propan-2-yl-1,2-dihydroimidazole
CID 89006278
4-tert-butyl-2,3-dihydro-1H-imidazole
CID 89010445
5-Tert-butyl-3-methyl-1,2-dihydroimidazole
CID 89210759

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-1,2-dihydroimidazole?
The IUPAC name of 4-tert-butyl-3-methyl-1,2-dihydroimidazole (CID 59788754) is 4-tert-butyl-3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 4-tert-butyl-3-methyl-1,2-dihydroimidazole?
The canonical SMILES for 4-tert-butyl-3-methyl-1,2-dihydroimidazole is CN1CNC=C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-1,2-dihydroimidazole?
The InChIKey is AAFDDIHOBZFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-5-9-6-10(7)4/h5,9H,6H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-1,2-dihydroimidazole?
4-tert-butyl-3-methyl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 59788754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).