5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole

C14H17ClN2O — CID 54388388

IUPAC5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
SMILESCOc1ccc(-c2nc(C)n(C(C)C)c2Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-9(2)17-10(3)16-13(14(17)15)11-5-7-12(18-4)8-6-11/h5-9H,1-4H3
InChIKeyVEWOUZUAAWTPJB-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.10
Rot. Bonds3

About 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole

5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole (PubChem CID 54388388) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
PubChem CID54388388
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
SMILESCOc1ccc(-c2nc(C)n(C(C)C)c2Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-9(2)17-10(3)16-13(14(17)15)11-5-7-12(18-4)8-6-11/h5-9H,1-4H3
InChIKeyVEWOUZUAAWTPJB-UHFFFAOYSA-N
XLogP4.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole?
The IUPAC name of 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole (CID 54388388) is 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole is COc1ccc(-c2nc(C)n(C(C)C)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole?
The InChIKey is VEWOUZUAAWTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(2)17-10(3)16-13(14(17)15)11-5-7-12(18-4)8-6-11/h5-9H,1-4H3.
What are the key properties of 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole?
5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole has a molecular weight of 264.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 54388388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).