5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole

C13H15ClN2 — CID 130437861

IUPAC5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(Cl)n1-c1ccccc1
InChIInChI=1S/C13H15ClN2/c1-9(2)12-13(14)16(10(3)15-12)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyWYSRCNICLRONOK-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.96
Rot. Bonds2

About 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole

5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole (PubChem CID 130437861) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole
PubChem CID130437861
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(Cl)n1-c1ccccc1
InChIInChI=1S/C13H15ClN2/c1-9(2)12-13(14)16(10(3)15-12)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyWYSRCNICLRONOK-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole?
The IUPAC name of 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole (CID 130437861) is 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)c(Cl)n1-c1ccccc1.
What is the InChIKey of 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole?
The InChIKey is WYSRCNICLRONOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9(2)12-13(14)16(10(3)15-12)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole?
5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole has a molecular weight of 234.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole is sourced from PubChem (CID 130437861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).