6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine

C22H26N6O — CID 118409977

IUPAC6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)c(N3C=CN(C)[C@H]3C)cc12
InChIInChI=1S/C22H26N6O/c1-13-19(27-9-7-25(5)15(27)3)11-17-18-12-23-14(2)24-22(18)29-21(17)20(13)28-10-8-26(6)16(28)4/h7-12,15-16H,1-6H3/t15-,16+/m1/s1
InChIKeyWIQVVRFMLFIKBA-CVEARBPZSA-N
MW390.49 g/mol
LogP4.13
Rot. Bonds2

About 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine

6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118409977) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118409977
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)c(N3C=CN(C)[C@H]3C)cc12
InChIInChI=1S/C22H26N6O/c1-13-19(27-9-7-25(5)15(27)3)11-17-18-12-23-14(2)24-22(18)29-21(17)20(13)28-10-8-26(6)16(28)4/h7-12,15-16H,1-6H3/t15-,16+/m1/s1
InChIKeyWIQVVRFMLFIKBA-CVEARBPZSA-N
XLogP4.13
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
CID 118409975
8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 165060179
1-(3,6-dimethyldibenzofuran-4-yl)-2,3-dimethyl-2H-imidazole
CID 130343444
2,5-dimethylpyrano[2,3-d]pyrimidin-7-one
CID 175809777
8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
CID 140917845
bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole);(2S)-3-(2,6-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2R)-3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 158387284
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-benzimidazol-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazol-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162296476
2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
CID 82411697
8-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 118083710
2-(2-deuteriopropan-2-yl)-8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 118083747
7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074684
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301796

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine (CID 118409977) is 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine is Cc1ncc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)c(N3C=CN(C)[C@H]3C)cc12.
What is the InChIKey of 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is WIQVVRFMLFIKBA-CVEARBPZSA-N. The full InChI is InChI=1S/C22H26N6O/c1-13-19(27-9-7-25(5)15(27)3)11-17-18-12-23-14(2)24-22(18)29-21(17)20(13)28-10-8-26(6)16(28)4/h7-12,15-16H,1-6H3/t15-,16+/m1/s1.
What are the key properties of 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 390.49 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118409977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).