(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

C27H30N2O6 — CID 155544455

IUPAC(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)[C@H](c3ccc(OC)c(OC)c3)N2)cc1OC
InChIInChI=1S/C27H30N2O6/c1-30-19-10-7-16(13-22(19)33-4)25-26(17-8-11-20(31-2)23(14-17)34-5)29-27(28-25)18-9-12-21(32-3)24(15-18)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+
InChIKeyYVCCFPDGZHXPNB-WMPKNSHKSA-N
MW478.55 g/mol
LogP4.57
Rot. Bonds9

About (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 155544455) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID155544455
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)[C@H](c3ccc(OC)c(OC)c3)N2)cc1OC
InChIInChI=1S/C27H30N2O6/c1-30-19-10-7-16(13-22(19)33-4)25-26(17-8-11-20(31-2)23(14-17)34-5)29-27(28-25)18-9-12-21(32-3)24(15-18)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+
InChIKeyYVCCFPDGZHXPNB-WMPKNSHKSA-N
XLogP4.57
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 155544455) is (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)[C@H](c3ccc(OC)c(OC)c3)N2)cc1OC.
What is the InChIKey of (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is YVCCFPDGZHXPNB-WMPKNSHKSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-30-19-10-7-16(13-22(19)33-4)25-26(17-8-11-20(31-2)23(14-17)34-5)29-27(28-25)18-9-12-21(32-3)24(15-18)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+.
What are the key properties of (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 478.55 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-tris(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 155544455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).