1-tert-butyl-5-methyl-4,5-dihydroimidazole

C8H16N2 — CID 146620830

IUPAC1-tert-butyl-5-methyl-4,5-dihydroimidazole
SMILESCC1CN=CN1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-7-5-9-6-10(7)8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyPEOQRLHXKGMXQW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds

About 1-tert-butyl-5-methyl-4,5-dihydroimidazole

1-tert-butyl-5-methyl-4,5-dihydroimidazole (PubChem CID 146620830) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-4,5-dihydroimidazole
PubChem CID146620830
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-tert-butyl-5-methyl-4,5-dihydroimidazole
SMILESCC1CN=CN1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-7-5-9-6-10(7)8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyPEOQRLHXKGMXQW-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-tert-butyl-5-methyl-4,5-dihydroimidazole (CID 146620830) is 1-tert-butyl-5-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-tert-butyl-5-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-tert-butyl-5-methyl-4,5-dihydroimidazole is CC1CN=CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-4,5-dihydroimidazole?
The InChIKey is PEOQRLHXKGMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-5-9-6-10(7)8(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-4,5-dihydroimidazole?
1-tert-butyl-5-methyl-4,5-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 146620830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).