1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole

C15H19ClN2 — CID 91224849

IUPAC1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole
SMILESCc1nc(C(C)C)n(Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H19ClN2/c1-10(2)15-17-11(3)12(4)18(15)9-13-5-7-14(16)8-6-13/h5-8,10H,9H2,1-4H3
InChIKeyWAJRZWNBVXEHRG-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.33
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole

1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole (PubChem CID 91224849) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole
PubChem CID91224849
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole
SMILESCc1nc(C(C)C)n(Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H19ClN2/c1-10(2)15-17-11(3)12(4)18(15)9-13-5-7-14(16)8-6-13/h5-8,10H,9H2,1-4H3
InChIKeyWAJRZWNBVXEHRG-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole (CID 91224849) is 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole is Cc1nc(C(C)C)n(Cc2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole?
The InChIKey is WAJRZWNBVXEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10(2)15-17-11(3)12(4)18(15)9-13-5-7-14(16)8-6-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole?
1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole has a molecular weight of 262.78 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole is sourced from PubChem (CID 91224849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).