7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C23H23N3O — CID 118083721

IUPAC7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C(C)C)[C@@H]1C
InChIInChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-15(3)11-12-17-18-8-7-13-24-23(18)27-22(17)21/h5-14,16H,1-4H3/t16-/m0/s1
InChIKeyUXZGPPPDJBWQKV-INIZCTEOSA-N
MW357.46 g/mol
LogP6.00
Rot. Bonds2

About 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 118083721) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID118083721
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C(C)C)[C@@H]1C
InChIInChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-15(3)11-12-17-18-8-7-13-24-23(18)27-22(17)21/h5-14,16H,1-4H3/t16-/m0/s1
InChIKeyUXZGPPPDJBWQKV-INIZCTEOSA-N
XLogP6.00
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735
2-fluoro-7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464418
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 122492430
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296359
7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162269283
8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 160682335
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301926
8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162016735
8-(2-ethyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137448454
7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 140884140
3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine;8-(2,3-dimethyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(2-methyl-3-propan-2-yl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296515

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 118083721) is 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C(C)C)[C@@H]1C.
What is the InChIKey of 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UXZGPPPDJBWQKV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-15(3)11-12-17-18-8-7-13-24-23(18)27-22(17)21/h5-14,16H,1-4H3/t16-/m0/s1.
What are the key properties of 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 357.46 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 118083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).