2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole

C21H25ClN2O — CID 71762929

IUPAC2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1cc(C(C)(C)C)ccc1C1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H25ClN2O/c1-5-25-19-12-15(21(2,3)4)8-11-17(19)20-23-13-18(24-20)14-6-9-16(22)10-7-14/h6-12,18H,5,13H2,1-4H3,(H,23,24)
InChIKeyLSIYAOPPHCNKAP-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.13
Rot. Bonds4

About 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole

2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 71762929) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID71762929
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1cc(C(C)(C)C)ccc1C1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H25ClN2O/c1-5-25-19-12-15(21(2,3)4)8-11-17(19)20-23-13-18(24-20)14-6-9-16(22)10-7-14/h6-12,18H,5,13H2,1-4H3,(H,23,24)
InChIKeyLSIYAOPPHCNKAP-UHFFFAOYSA-N
XLogP5.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole (CID 71762929) is 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole is CCOc1cc(C(C)(C)C)ccc1C1=NCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LSIYAOPPHCNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-5-25-19-12-15(21(2,3)4)8-11-17(19)20-23-13-18(24-20)14-6-9-16(22)10-7-14/h6-12,18H,5,13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 356.90 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71762929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).