8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride

C26H28ClN5O — CID 69278909

IUPAC8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride
SMILESCOc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CN7CCC6CC7)c54)[nH]3)c[nH]c2c1.Cl
InChIInChI=1S/C26H27N5O.ClH/c1-32-17-2-3-18-16(12-27-23(18)11-17)10-24-29-22-5-4-21-25(26(22)30-24)19(13-28-21)20-14-31-8-6-15(20)7-9-31;/h2-5,11-13,15,20,27-28H,6-10,14H2,1H3,(H,29,30);1H
InChIKeyVHARIRYCWJOUGM-UHFFFAOYSA-N
MW462.00 g/mol
LogP5.36
Rot. Bonds4

About 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride

8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride (PubChem CID 69278909) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride.

Molecular Properties

Compound Name8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride
PubChem CID69278909
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride
SMILESCOc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CN7CCC6CC7)c54)[nH]3)c[nH]c2c1.Cl
InChIInChI=1S/C26H27N5O.ClH/c1-32-17-2-3-18-16(12-27-23(18)11-17)10-24-29-22-5-4-21-25(26(22)30-24)19(13-28-21)20-14-31-8-6-15(20)7-9-31;/h2-5,11-13,15,20,27-28H,6-10,14H2,1H3,(H,29,30);1H
InChIKeyVHARIRYCWJOUGM-UHFFFAOYSA-N
XLogP5.36
TPSA72.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride with MolForge

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole
CID 15157668
[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl] acetate
CID 15157701
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-heptan-3-yl-6H-pyrrolo[3,2-e][1,3]benzoxazole;hydrochloride
CID 68685871
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84630870
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide;hydrochloride
CID 70075185
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
3-(2,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19802571
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
CID 55263522

Frequently Asked Questions

What is the IUPAC name of 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride?
The IUPAC name of 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride (CID 69278909) is 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride.
What is the SMILES notation for 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride?
The canonical SMILES for 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride is COc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CN7CCC6CC7)c54)[nH]3)c[nH]c2c1.Cl.
What is the InChIKey of 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride?
The InChIKey is VHARIRYCWJOUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.ClH/c1-32-17-2-3-18-16(12-27-23(18)11-17)10-24-29-22-5-4-21-25(26(22)30-24)19(13-28-21)20-14-31-8-6-15(20)7-9-31;/h2-5,11-13,15,20,27-28H,6-10,14H2,1H3,(H,29,30);1H.
What are the key properties of 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride?
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride has a molecular weight of 462.00 g/mol, XLogP of 5.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride is sourced from PubChem (CID 69278909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).