4-chloro-1-(4-propan-2-ylphenyl)imidazole

C12H13ClN2 — CID 67806578

IUPAC4-chloro-1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(Cl)c2)cc1
InChIInChI=1S/C12H13ClN2/c1-9(2)10-3-5-11(6-4-10)15-7-12(13)14-8-15/h3-9H,1-2H3
InChIKeyGQKOPGNUQJTBDG-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.65
Rot. Bonds2

About 4-chloro-1-(4-propan-2-ylphenyl)imidazole

4-chloro-1-(4-propan-2-ylphenyl)imidazole (PubChem CID 67806578) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-chloro-1-(4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-propan-2-ylphenyl)imidazole
PubChem CID67806578
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-chloro-1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(Cl)c2)cc1
InChIInChI=1S/C12H13ClN2/c1-9(2)10-3-5-11(6-4-10)15-7-12(13)14-8-15/h3-9H,1-2H3
InChIKeyGQKOPGNUQJTBDG-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-propan-2-ylphenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-propan-2-ylphenyl)imidazole (CID 67806578) is 4-chloro-1-(4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-propan-2-ylphenyl)imidazole is CC(C)c1ccc(-n2cnc(Cl)c2)cc1.
What is the InChIKey of 4-chloro-1-(4-propan-2-ylphenyl)imidazole?
The InChIKey is GQKOPGNUQJTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9(2)10-3-5-11(6-4-10)15-7-12(13)14-8-15/h3-9H,1-2H3.
What are the key properties of 4-chloro-1-(4-propan-2-ylphenyl)imidazole?
4-chloro-1-(4-propan-2-ylphenyl)imidazole has a molecular weight of 220.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 67806578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).