3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline

C27H23N3O3 — CID 1370169

IUPAC3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1cc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C27H23N3O3/c1-31-22-14-19(15-23(32-2)26(22)33-3)27-29-24(17-9-5-4-6-10-17)25(30-27)20-13-18-11-7-8-12-21(18)28-16-20/h4-16H,1-3H3,(H,29,30)
InChIKeyVEGVBINOVWWKHL-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.98
Rot. Bonds6

About 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline

3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline (PubChem CID 1370169) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline
PubChem CID1370169
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1cc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C27H23N3O3/c1-31-22-14-19(15-23(32-2)26(22)33-3)27-29-24(17-9-5-4-6-10-17)25(30-27)20-13-18-11-7-8-12-21(18)28-16-20/h4-16H,1-3H3,(H,29,30)
InChIKeyVEGVBINOVWWKHL-UHFFFAOYSA-N
XLogP5.98
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
2-[4,5-bis(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]-3-methylpyridine
CID 44604780
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 71462610
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
CID 39226750
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
4,5-bis(furan-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 4881297

Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline (CID 1370169) is 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline is COc1cc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is VEGVBINOVWWKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-31-22-14-19(15-23(32-2)26(22)33-3)27-29-24(17-9-5-4-6-10-17)25(30-27)20-13-18-11-7-8-12-21(18)28-16-20/h4-16H,1-3H3,(H,29,30).
What are the key properties of 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline?
3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 437.50 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 1370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).