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

C26H31ClF2N4 — CID 69120216

IUPAC2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole
SMILESCCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(F)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H17FN2.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/h5-8H,3-4,9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16)
InChIKeyFPFQGNQQHIMFGY-UHFFFAOYSA-N
MW473.01 g/mol
LogP5.85
Rot. Bonds7

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

2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole (PubChem CID 69120216) has the molecular formula C26H31ClF2N4 and a molecular weight of 473.01 g/mol. Its IUPAC name is 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole
PubChem CID69120216
Molecular FormulaC26H31ClF2N4
Molecular Weight473.01 g/mol
Exact Mass472.22
IUPAC Name2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole
SMILESCCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(F)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H17FN2.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/h5-8H,3-4,9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16)
InChIKeyFPFQGNQQHIMFGY-UHFFFAOYSA-N
XLogP5.85
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.01
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-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 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole (CID 69120216) is 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole is CCc1c(Cl)ccc(F)c1CC1=NCCN1.CCc1ccc(F)c(CC)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole?
The InChIKey is FPFQGNQQHIMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.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/h5-8H,3-4,9H2,1-2H3,(H,16,17);3-4H,2,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole?
2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole has a molecular weight of 473.01 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 69120216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).