8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C24H25N3O — CID 162296453

IUPAC8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3c4ccccc4CCN(C)C3C)c(C)ccc12
InChIInChI=1S/C24H25N3O/c1-15-9-11-19-20-12-10-16(2)25-24(20)28-23(19)22(15)27-17(3)26(4)14-13-18-7-5-6-8-21(18)27/h5-12,17H,13-14H2,1-4H3
InChIKeyDTJCILZBMGXSDD-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.57
Rot. Bonds1

About 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162296453) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID162296453
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3c4ccccc4CCN(C)C3C)c(C)ccc12
InChIInChI=1S/C24H25N3O/c1-15-9-11-19-20-12-10-16(2)25-24(20)28-23(19)22(15)27-17(3)26(4)14-13-18-7-5-6-8-21(18)27/h5-12,17H,13-14H2,1-4H3
InChIKeyDTJCILZBMGXSDD-UHFFFAOYSA-N
XLogP5.57
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-(5,5-dideuterio-1,2-dimethyl-2,4-dihydro-1,3-benzodiazepin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296388
2,7-dimethyl-8-[(11S)-11-methyl-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-trien-10-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454333
2,7-dimethyl-8-(11-methyl-1,10-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296382
2,7-dimethyl-8-[(2S)-2-methyl-3-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 138486753
8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 158578666
8-(1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296553
8-[(8S)-7-benzyl-8-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 163830996
2-fluoro-7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464418
2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
2,7-dimethyl-8-[(2R)-2-methyl-3-[2-(1-methylindol-2-yl)propan-2-yl]-2,3-dihydrobenzimidazol-3-ium-1-yl]-[1]benzofuro[2,3-b]pyridine iodide
CID 170400514
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 148769561

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 162296453) is 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3c4ccccc4CCN(C)C3C)c(C)ccc12.
What is the InChIKey of 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DTJCILZBMGXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-15-9-11-19-20-12-10-16(2)25-24(20)28-23(19)22(15)27-17(3)26(4)14-13-18-7-5-6-8-21(18)27/h5-12,17H,13-14H2,1-4H3.
What are the key properties of 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 371.48 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162296453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).