(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole

C25H24Cl2N2O3 — CID 59093148

IUPAC(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OC(C)OC)c1
InChIInChI=1S/C25H24Cl2N2O3/c1-15(30-2)32-22-14-20(31-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t15?,23-,24+
InChIKeyCBZHIFOCNZRVGN-RLDSBTEXSA-N
MW471.38 g/mol
LogP6.21
Rot. Bonds7

About (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59093148) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59093148
Molecular FormulaC25H24Cl2N2O3
Molecular Weight471.38 g/mol
Exact Mass470.12
IUPAC Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OC(C)OC)c1
InChIInChI=1S/C25H24Cl2N2O3/c1-15(30-2)32-22-14-20(31-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t15?,23-,24+
InChIKeyCBZHIFOCNZRVGN-RLDSBTEXSA-N
XLogP6.21
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-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 (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 59093148) is (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OC(C)OC)c1.
What is the InChIKey of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CBZHIFOCNZRVGN-RLDSBTEXSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3/c1-15(30-2)32-22-14-20(31-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t15?,23-,24+.
What are the key properties of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 471.38 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59093148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).