1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole

C16H17ClN4O — CID 46980421

IUPAC1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCC(Cn1cncc1-c1cnn(C)c1)Oc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c1-12(22-16-6-4-3-5-14(16)17)9-21-11-18-8-15(21)13-7-19-20(2)10-13/h3-8,10-12H,9H2,1-2H3
InChIKeyIFUJHLHJBMMWGV-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole

1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole (PubChem CID 46980421) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole
PubChem CID46980421
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCC(Cn1cncc1-c1cnn(C)c1)Oc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c1-12(22-16-6-4-3-5-14(16)17)9-21-11-18-8-15(21)13-7-19-20(2)10-13/h3-8,10-12H,9H2,1-2H3
InChIKeyIFUJHLHJBMMWGV-UHFFFAOYSA-N
XLogP3.40
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole (CID 46980421) is 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole is CC(Cn1cncc1-c1cnn(C)c1)Oc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The InChIKey is IFUJHLHJBMMWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-12(22-16-6-4-3-5-14(16)17)9-21-11-18-8-15(21)13-7-19-20(2)10-13/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole has a molecular weight of 316.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole is sourced from PubChem (CID 46980421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).