4-cyclobutyl-1,3-dimethyl-2H-imidazole

C9H16N2 — CID 167104118

IUPAC4-cyclobutyl-1,3-dimethyl-2H-imidazole
SMILESCN1C=C(C2CCC2)N(C)C1
InChIInChI=1S/C9H16N2/c1-10-6-9(11(2)7-10)8-4-3-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyYWOWORPOTWSIRD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.46
Rot. Bonds1

About 4-cyclobutyl-1,3-dimethyl-2H-imidazole

4-cyclobutyl-1,3-dimethyl-2H-imidazole (PubChem CID 167104118) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-cyclobutyl-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name4-cyclobutyl-1,3-dimethyl-2H-imidazole
PubChem CID167104118
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-cyclobutyl-1,3-dimethyl-2H-imidazole
SMILESCN1C=C(C2CCC2)N(C)C1
InChIInChI=1S/C9H16N2/c1-10-6-9(11(2)7-10)8-4-3-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyYWOWORPOTWSIRD-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,3-dimethyl-2H-imidazole?
The IUPAC name of 4-cyclobutyl-1,3-dimethyl-2H-imidazole (CID 167104118) is 4-cyclobutyl-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 4-cyclobutyl-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 4-cyclobutyl-1,3-dimethyl-2H-imidazole is CN1C=C(C2CCC2)N(C)C1.
What is the InChIKey of 4-cyclobutyl-1,3-dimethyl-2H-imidazole?
The InChIKey is YWOWORPOTWSIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-6-9(11(2)7-10)8-4-3-5-8/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-cyclobutyl-1,3-dimethyl-2H-imidazole?
4-cyclobutyl-1,3-dimethyl-2H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 167104118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).