1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole

C24H30N4O — CID 140698989

IUPAC1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole
SMILESCC(C)N1C=CN(c2cccc(Oc3cccc(N4C=CN(C(C)C)C4)c3)c2)C1
InChIInChI=1S/C24H30N4O/c1-19(2)25-11-13-27(17-25)21-7-5-9-23(15-21)29-24-10-6-8-22(16-24)28-14-12-26(18-28)20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyMVKBAYIRECIUHA-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.40
Rot. Bonds6

About 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole

1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole (PubChem CID 140698989) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole
PubChem CID140698989
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole
SMILESCC(C)N1C=CN(c2cccc(Oc3cccc(N4C=CN(C(C)C)C4)c3)c2)C1
InChIInChI=1S/C24H30N4O/c1-19(2)25-11-13-27(17-25)21-7-5-9-23(15-21)29-24-10-6-8-22(16-24)28-14-12-26(18-28)20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyMVKBAYIRECIUHA-UHFFFAOYSA-N
XLogP5.40
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
1,4-dimethyl-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-1-ium-2-ide
CID 140765103
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758544
9-(4-tert-butyl-2-pyridinyl)-2-[3-isocyano-5-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155635755
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
CID 140730853
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole?
The IUPAC name of 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole (CID 140698989) is 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole.
What is the SMILES notation for 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole?
The canonical SMILES for 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole is CC(C)N1C=CN(c2cccc(Oc3cccc(N4C=CN(C(C)C)C4)c3)c2)C1.
What is the InChIKey of 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole?
The InChIKey is MVKBAYIRECIUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19(2)25-11-13-27(17-25)21-7-5-9-23(15-21)29-24-10-6-8-22(16-24)28-14-12-26(18-28)20(3)4/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole?
1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole has a molecular weight of 390.53 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole is sourced from PubChem (CID 140698989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).