2-chloro-5-cyclobutyl-1-propan-2-ylimidazole

C10H15ClN2 — CID 117260181

IUPAC2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
SMILESCC(C)n1c(C2CCC2)cnc1Cl
InChIInChI=1S/C10H15ClN2/c1-7(2)13-9(6-12-10(13)11)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyMESWTZAXQLDNBX-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole

2-chloro-5-cyclobutyl-1-propan-2-ylimidazole (PubChem CID 117260181) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
PubChem CID117260181
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
SMILESCC(C)n1c(C2CCC2)cnc1Cl
InChIInChI=1S/C10H15ClN2/c1-7(2)13-9(6-12-10(13)11)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyMESWTZAXQLDNBX-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole?
The IUPAC name of 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole (CID 117260181) is 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole is CC(C)n1c(C2CCC2)cnc1Cl.
What is the InChIKey of 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole?
The InChIKey is MESWTZAXQLDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(2)13-9(6-12-10(13)11)8-4-3-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole?
2-chloro-5-cyclobutyl-1-propan-2-ylimidazole has a molecular weight of 198.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclobutyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117260181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).