1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole

C11H20N2 — CID 167199401

IUPAC1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole
SMILESCC(C)C1=CN(C2CCC2)CN1C
InChIInChI=1S/C11H20N2/c1-9(2)11-7-13(8-12(11)3)10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyVJANFXCMTAJKFA-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.24
Rot. Bonds2

About 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole

1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole (PubChem CID 167199401) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole
PubChem CID167199401
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole
SMILESCC(C)C1=CN(C2CCC2)CN1C
InChIInChI=1S/C11H20N2/c1-9(2)11-7-13(8-12(11)3)10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyVJANFXCMTAJKFA-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole?
The IUPAC name of 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole (CID 167199401) is 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole is CC(C)C1=CN(C2CCC2)CN1C.
What is the InChIKey of 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole?
The InChIKey is VJANFXCMTAJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)11-7-13(8-12(11)3)10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole?
1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole is sourced from PubChem (CID 167199401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).