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

C27H30N2O6 — CID 155562704

IUPAC(4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=N[C@@H](c3cccc(OC)c3OC)[C@@H](c3cccc(OC)c3OC)N2)c1OC
InChIInChI=1S/C27H30N2O6/c1-30-19-13-7-10-16(24(19)33-4)22-23(17-11-8-14-20(31-2)25(17)34-5)29-27(28-22)18-12-9-15-21(32-3)26(18)35-6/h7-15,22-23H,1-6H3,(H,28,29)/t22-,23+
InChIKeyGGHHNIWLZRXFHE-ZRZAMGCNSA-N
MW478.55 g/mol
LogP4.57
Rot. Bonds9

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

(4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 155562704) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID155562704
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=N[C@@H](c3cccc(OC)c3OC)[C@@H](c3cccc(OC)c3OC)N2)c1OC
InChIInChI=1S/C27H30N2O6/c1-30-19-13-7-10-16(24(19)33-4)22-23(17-11-8-14-20(31-2)25(17)34-5)29-27(28-22)18-12-9-15-21(32-3)26(18)35-6/h7-15,22-23H,1-6H3,(H,28,29)/t22-,23+
InChIKeyGGHHNIWLZRXFHE-ZRZAMGCNSA-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

(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 5147150
2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 15327588
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 155561723
1,3-Di-(4-imidazolino-2-methoxyphenoxy)propane
CID 60323
(4R,5S)-2-[2-(2-methoxyphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11439704
(4R,5S)-2,4,5-tris(4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 155541189
2,2'-(1,4-Butanediylbis(oxy(3-methoxy-4,1-phenylene)))bis(4,5-dihydro)-1H-imidazole
CID 72436
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-phenoxy]pentoxy]-3-methoxy-phenyl]-4,5-dihydro-1H-imidazole
CID 456158
Pentamidine cogener
CID 6473924
2-[4-[(Z)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-phenoxy]but-2-enoxy]-3-methoxy-phenyl]-4,5-dihydro-1H-imidazole
CID 6474347

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 155562704) is (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1cccc(C2=N[C@@H](c3cccc(OC)c3OC)[C@@H](c3cccc(OC)c3OC)N2)c1OC.
What is the InChIKey of (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GGHHNIWLZRXFHE-ZRZAMGCNSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-30-19-13-7-10-16(24(19)33-4)22-23(17-11-8-14-20(31-2)25(17)34-5)29-27(28-22)18-12-9-15-21(32-3)26(18)35-6/h7-15,22-23H,1-6H3,(H,28,29)/t22-,23+.
What are the key properties of (4S,5R)-2,4,5-tris(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-2,4,5-tris(2,3-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(2,3-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 155562704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).