9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine

C22H19N3O — CID 156668456

IUPAC9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2C(C)C)c2oc3cccnc3c12
InChIInChI=1S/C22H19N3O/c1-13(2)25-17-8-5-4-7-16(17)24-22(25)15-11-10-14(3)19-20-18(26-21(15)19)9-6-12-23-20/h4-13H,1-3H3
InChIKeyZSYASPDQKDSFCG-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.89
Rot. Bonds2

About 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine

9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 156668456) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID156668456
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2C(C)C)c2oc3cccnc3c12
InChIInChI=1S/C22H19N3O/c1-13(2)25-17-8-5-4-7-16(17)24-22(25)15-11-10-14(3)19-20-18(26-21(15)19)9-6-12-23-20/h4-13H,1-3H3
InChIKeyZSYASPDQKDSFCG-UHFFFAOYSA-N
XLogP5.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
CID 46310533
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164825150
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324659
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(1,7-dimethyldibenzofuran-4-yl)benzimidazole
CID 166499090
1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156669552
2-bromo-6-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63112784

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine (CID 156668456) is 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine is Cc1ccc(-c2nc3ccccc3n2C(C)C)c2oc3cccnc3c12.
What is the InChIKey of 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ZSYASPDQKDSFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-13(2)25-17-8-5-4-7-16(17)24-22(25)15-11-10-14(3)19-20-18(26-21(15)19)9-6-12-23-20/h4-13H,1-3H3.
What are the key properties of 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine?
9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 341.41 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 156668456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).