(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole

C25H24Cl2N2O2 — CID 59093212

IUPAC(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESCOCc1cc(COC)cc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C25H24Cl2N2O2/c1-30-14-16-11-17(15-31-2)13-20(12-16)25-28-23(18-3-7-21(26)8-4-18)24(29-25)19-5-9-22(27)10-6-19/h3-13,23-24H,14-15H2,1-2H3,(H,28,29)/t23-,24+
InChIKeyOVPHTTMKSNOQIY-PSWAGMNNSA-N
MW455.39 g/mol
LogP6.12
Rot. Bonds7

About (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 59093212) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID59093212
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESCOCc1cc(COC)cc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C25H24Cl2N2O2/c1-30-14-16-11-17(15-31-2)13-20(12-16)25-28-23(18-3-7-21(26)8-4-18)24(29-25)19-5-9-22(27)10-6-19/h3-13,23-24H,14-15H2,1-2H3,(H,28,29)/t23-,24+
InChIKeyOVPHTTMKSNOQIY-PSWAGMNNSA-N
XLogP6.12
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole (CID 59093212) is (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole is COCc1cc(COC)cc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c1.
What is the InChIKey of (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is OVPHTTMKSNOQIY-PSWAGMNNSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-30-14-16-11-17(15-31-2)13-20(12-16)25-28-23(18-3-7-21(26)8-4-18)24(29-25)19-5-9-22(27)10-6-19/h3-13,23-24H,14-15H2,1-2H3,(H,28,29)/t23-,24+.
What are the key properties of (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 455.39 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59093212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).