1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole

C17H20N4O — CID 163312721

IUPAC1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole
SMILESCOC(C)Cn1ccnc1-c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C17H20N4O/c1-13(22-3)11-21-8-7-18-17(21)15-6-4-5-14(9-15)16-10-19-20(2)12-16/h4-10,12-13H,11H2,1-3H3
InChIKeyMCTCOEGFPWNFDB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole

1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole (PubChem CID 163312721) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole
PubChem CID163312721
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole
SMILESCOC(C)Cn1ccnc1-c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C17H20N4O/c1-13(22-3)11-21-8-7-18-17(21)15-6-4-5-14(9-15)16-10-19-20(2)12-16/h4-10,12-13H,11H2,1-3H3
InChIKeyMCTCOEGFPWNFDB-UHFFFAOYSA-N
XLogP2.99
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole?
The IUPAC name of 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole (CID 163312721) is 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole.
What is the SMILES notation for 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole?
The canonical SMILES for 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole is COC(C)Cn1ccnc1-c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole?
The InChIKey is MCTCOEGFPWNFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(22-3)11-21-8-7-18-17(21)15-6-4-5-14(9-15)16-10-19-20(2)12-16/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole?
1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole has a molecular weight of 296.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole is sourced from PubChem (CID 163312721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).