1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole

C16H19ClN2O — CID 3007517

IUPAC1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole
SMILESCCCOc1ccc(Cl)cc1C(=C(C)C)n1ccnc1
InChIInChI=1S/C16H19ClN2O/c1-4-9-20-15-6-5-13(17)10-14(15)16(12(2)3)19-8-7-18-11-19/h5-8,10-11H,4,9H2,1-3H3
InChIKeySOVGRWXJYDGBNX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.62
Rot. Bonds5

About 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole

1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole (PubChem CID 3007517) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole
PubChem CID3007517
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole
SMILESCCCOc1ccc(Cl)cc1C(=C(C)C)n1ccnc1
InChIInChI=1S/C16H19ClN2O/c1-4-9-20-15-6-5-13(17)10-14(15)16(12(2)3)19-8-7-18-11-19/h5-8,10-11H,4,9H2,1-3H3
InChIKeySOVGRWXJYDGBNX-UHFFFAOYSA-N
XLogP4.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole?
The IUPAC name of 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole (CID 3007517) is 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole.
What is the SMILES notation for 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole?
The canonical SMILES for 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole is CCCOc1ccc(Cl)cc1C(=C(C)C)n1ccnc1.
What is the InChIKey of 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole?
The InChIKey is SOVGRWXJYDGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-9-20-15-6-5-13(17)10-14(15)16(12(2)3)19-8-7-18-11-19/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole?
1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole has a molecular weight of 290.79 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole is sourced from PubChem (CID 3007517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).