4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

C23H20Cl2N2O2 — CID 10216595

IUPAC4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)cc1OC
InChIInChI=1S/C23H20Cl2N2O2/c1-28-19-12-7-16(13-20(19)29-2)23-26-21(14-3-8-17(24)9-4-14)22(27-23)15-5-10-18(25)11-6-15/h3-13,21-22H,1-2H3,(H,26,27)
InChIKeyBRERTGWXHUVSQZ-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.84
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 10216595) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID10216595
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)cc1OC
InChIInChI=1S/C23H20Cl2N2O2/c1-28-19-12-7-16(13-20(19)29-2)23-26-21(14-3-8-17(24)9-4-14)22(27-23)15-5-10-18(25)11-6-15/h3-13,21-22H,1-2H3,(H,26,27)
InChIKeyBRERTGWXHUVSQZ-UHFFFAOYSA-N
XLogP5.84
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 10216595) is 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)cc1OC.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is BRERTGWXHUVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-28-19-12-7-16(13-20(19)29-2)23-26-21(14-3-8-17(24)9-4-14)22(27-23)15-5-10-18(25)11-6-15/h3-13,21-22H,1-2H3,(H,26,27).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 427.33 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10216595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).