2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine

C22H29N3O2 — CID 118936370

IUPAC2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine
SMILESCC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)CN1
InChIInChI=1S/C22H29N3O2/c1-21(2,3)20-18-10-17(8-6-15(18)12-26-20)27-19-9-7-16(11-23-19)25-13-22(4,5)24-14-25/h6-11,20,24H,12-14H2,1-5H3
InChIKeyBSYAABNERDVJTN-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.64
Rot. Bonds3

About 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine

2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine (PubChem CID 118936370) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine
PubChem CID118936370
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine
SMILESCC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)CN1
InChIInChI=1S/C22H29N3O2/c1-21(2,3)20-18-10-17(8-6-15(18)12-26-20)27-19-9-7-16(11-23-19)25-13-22(4,5)24-14-25/h6-11,20,24H,12-14H2,1-5H3
InChIKeyBSYAABNERDVJTN-UHFFFAOYSA-N
XLogP4.64
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine with MolForge

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Related Compounds

(5R)-3-[6-[[(3R)-3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 141458184
3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 151056183
(5R)-3-[2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 71089584
3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 90024201
5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
CID 146591496
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 71090096
(5R)-5-ethyl-3-[2-[(3-ethyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-methylimidazolidine-2,4-dione
CID 71112997
2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine
CID 141351421
4-[6-[[3-(fluoromethyl)-3-methyl-1H-2-benzofuran-5-yl]oxy]-3-pyridinyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 118030770
1-[6-(4-fluorophenoxy)-3-pyridinyl]-4-methyl-1,4-diazepane
CID 91526375
1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone
CID 151331668

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine?
The IUPAC name of 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine (CID 118936370) is 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine.
What is the SMILES notation for 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine?
The canonical SMILES for 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine is CC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)CN1.
What is the InChIKey of 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine?
The InChIKey is BSYAABNERDVJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-21(2,3)20-18-10-17(8-6-15(18)12-26-20)27-19-9-7-16(11-23-19)25-13-22(4,5)24-14-25/h6-11,20,24H,12-14H2,1-5H3.
What are the key properties of 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine?
2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine has a molecular weight of 367.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine is sourced from PubChem (CID 118936370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).