4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole

C21H24ClFN2O2 — CID 11315312

IUPAC4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25)
InChIKeyTULOTTNSYJDGMQ-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.96
Rot. Bonds8

About 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole

4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole (PubChem CID 11315312) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
PubChem CID11315312
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25)
InChIKeyTULOTTNSYJDGMQ-UHFFFAOYSA-N
XLogP4.96
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole (CID 11315312) is 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole is CCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is TULOTTNSYJDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 390.89 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11315312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).