2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole

C23H19ClN2O2 — CID 58510130

IUPAC2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H19ClN2O2/c1-27-22-13-19(28-15-16-5-3-2-4-6-16)11-12-20(22)21-14-25-23(26-21)17-7-9-18(24)10-8-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyLIDWHCZBMOEYIH-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.98
Rot. Bonds6

About 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole

2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole (PubChem CID 58510130) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
PubChem CID58510130
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H19ClN2O2/c1-27-22-13-19(28-15-16-5-3-2-4-6-16)11-12-20(22)21-14-25-23(26-21)17-7-9-18(24)10-8-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyLIDWHCZBMOEYIH-UHFFFAOYSA-N
XLogP5.98
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole (CID 58510130) is 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole is COc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole?
The InChIKey is LIDWHCZBMOEYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-27-22-13-19(28-15-16-5-3-2-4-6-16)11-12-20(22)21-14-25-23(26-21)17-7-9-18(24)10-8-17/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole?
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole has a molecular weight of 390.87 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 58510130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).