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

C27H30N2O6 — CID 155561723

IUPAC(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3OC)[C@@H](c3ccc(OC)cc3OC)N2)c(OC)c1
InChIInChI=1S/C27H30N2O6/c1-30-16-7-10-19(22(13-16)33-4)25-26(20-11-8-17(31-2)14-23(20)34-5)29-27(28-25)21-12-9-18(32-3)15-24(21)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+
InChIKeyHKIZUGSEVJJHDJ-WMPKNSHKSA-N
MW478.55 g/mol
LogP4.57
Rot. Bonds9

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

(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 155561723) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID155561723
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3OC)[C@@H](c3ccc(OC)cc3OC)N2)c(OC)c1
InChIInChI=1S/C27H30N2O6/c1-30-16-7-10-19(22(13-16)33-4)25-26(20-11-8-17(31-2)14-23(20)34-5)29-27(28-25)21-12-9-18(32-3)15-24(21)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+
InChIKeyHKIZUGSEVJJHDJ-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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Related Compounds

3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
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(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093148
4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile
CID 10173536
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093201
(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 7373110
5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
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CID 171194245
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 155561723) is (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@@H](c3ccc(OC)cc3OC)[C@@H](c3ccc(OC)cc3OC)N2)c(OC)c1.
What is the InChIKey of (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is HKIZUGSEVJJHDJ-WMPKNSHKSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-30-16-7-10-19(22(13-16)33-4)25-26(20-11-8-17(31-2)14-23(20)34-5)29-27(28-25)21-12-9-18(32-3)15-24(21)35-6/h7-15,25-26H,1-6H3,(H,28,29)/t25-,26+.
What are the key properties of (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-2,4,5-tris(2,4-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 (4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 155561723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).