2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole

C26H33Cl2FN4 — CID 69119976

IUPAC2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(Cl)c(CC)c1CC1=NCCN1
InChIInChI=1S/C14H19ClN2.C12H14ClFN2/c1-3-10-5-6-13(15)11(4-2)12(10)9-14-16-7-8-17-14;1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16)
InChIKeyUALXMSHYSZSCEX-UHFFFAOYSA-N
MW491.48 g/mol
LogP5.59
Rot. Bonds7

About 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 69119976) has the molecular formula C26H33Cl2FN4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID69119976
Molecular FormulaC26H33Cl2FN4
Molecular Weight491.48 g/mol
Exact Mass490.21
IUPAC Name2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(Cl)c(CC)c1CC1=NCCN1
InChIInChI=1S/C14H19ClN2.C12H14ClFN2/c1-3-10-5-6-13(15)11(4-2)12(10)9-14-16-7-8-17-14;1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16)
InChIKeyUALXMSHYSZSCEX-UHFFFAOYSA-N
XLogP5.59
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 69119976) is 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole is CCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(Cl)c(CC)c1CC1=NCCN1.
What is the InChIKey of 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UALXMSHYSZSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2.C12H14ClFN2/c1-3-10-5-6-13(15)11(4-2)12(10)9-14-16-7-8-17-14;1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h5-6H,3-4,7-9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 491.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 69119976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).