8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

C27H23N3O — CID 156668121

IUPAC8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccc4ccccc4c3n2C(C)(C)C)c2oc3ncccc3c12
InChIInChI=1S/C27H23N3O/c1-16-11-13-20(24-22(16)19-10-7-15-28-26(19)31-24)25-29-21-14-12-17-8-5-6-9-18(17)23(21)30(25)27(2,3)4/h5-15H,1-4H3
InChIKeyOQLOCXVKANTMJW-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.21
Rot. Bonds1

About 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668121) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156668121
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccc4ccccc4c3n2C(C)(C)C)c2oc3ncccc3c12
InChIInChI=1S/C27H23N3O/c1-16-11-13-20(24-22(16)19-10-7-15-28-26(19)31-24)25-29-21-14-12-17-8-5-6-9-18(17)23(21)30(25)27(2,3)4/h5-15H,1-4H3
InChIKeyOQLOCXVKANTMJW-UHFFFAOYSA-N
XLogP7.21
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
2-tert-butyl-5-methyl-8-[1-(2,4,6-trimethylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668881
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-(1,5-dimethylpyridin-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 153237527
2,5-dimethyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166498770
6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916361
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 162693306
[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane
CID 176722750
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156670750

Frequently Asked Questions

What is the IUPAC name of 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (CID 156668121) is 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2nc3ccc4ccccc4c3n2C(C)(C)C)c2oc3ncccc3c12.
What is the InChIKey of 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OQLOCXVKANTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-16-11-13-20(24-22(16)19-10-7-15-28-26(19)31-24)25-29-21-14-12-17-8-5-6-9-18(17)23(21)30(25)27(2,3)4/h5-15H,1-4H3.
What are the key properties of 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 405.50 g/mol, XLogP of 7.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).