6-benzyl-[1]benzofuro[2,3-b]indole

C21H15NO — CID 102518263

IUPAC6-benzyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2
InChIKeyHXBCRWGOLBYZJN-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.59
Rot. Bonds2

About 6-benzyl-[1]benzofuro[2,3-b]indole

6-benzyl-[1]benzofuro[2,3-b]indole (PubChem CID 102518263) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-benzyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-benzyl-[1]benzofuro[2,3-b]indole
PubChem CID102518263
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name6-benzyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2
InChIKeyHXBCRWGOLBYZJN-UHFFFAOYSA-N
XLogP5.59
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
1-benzylindole-2,3-diamine
CID 142192316
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
14-ethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90350894
3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
CID 14867409
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
[1]benzofuro[2,3-b]indol-6-yl-tri(propan-2-yl)silane
CID 139252452
9-benzyl-3-chlorocarbazol-4-ol
CID 18671656
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
CID 101397273
7-benzyl-5-methoxyindolo[2,3-c]quinolin-6-one
CID 122401287

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-benzyl-[1]benzofuro[2,3-b]indole (CID 102518263) is 6-benzyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-benzyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-benzyl-[1]benzofuro[2,3-b]indole is c1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1.
What is the InChIKey of 6-benzyl-[1]benzofuro[2,3-b]indole?
The InChIKey is HXBCRWGOLBYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2.
What are the key properties of 6-benzyl-[1]benzofuro[2,3-b]indole?
6-benzyl-[1]benzofuro[2,3-b]indole has a molecular weight of 297.36 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 102518263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).