3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C26H22N2 — CID 170557372

IUPAC3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESc1ccc(Cn2cc(C3CCn4c3cc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C26H22N2/c1-2-8-19(9-3-1)17-27-18-23(21-11-5-7-13-25(21)27)22-14-15-28-24-12-6-4-10-20(24)16-26(22)28/h1-13,16,18,22H,14-15,17H2
InChIKeyIHAHFWUOIGZYCI-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.18
Rot. Bonds3

About 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole

3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 170557372) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID170557372
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESc1ccc(Cn2cc(C3CCn4c3cc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C26H22N2/c1-2-8-19(9-3-1)17-27-18-23(21-11-5-7-13-25(21)27)22-14-15-28-24-12-6-4-10-20(24)16-26(22)28/h1-13,16,18,22H,14-15,17H2
InChIKeyIHAHFWUOIGZYCI-UHFFFAOYSA-N
XLogP6.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 2219919
(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
CID 70694930
3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde
CID 91589686
1-benzyl-3-methylindole;ethane
CID 145343697
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
1-benzyl-3-(2,6-difluoro-4-pyridinyl)indole
CID 66552989
1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
CID 84612315
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
CID 84612219
1-benzyl-3-(1-methylpyrrolidin-2-yl)indole;cyclohexylsulfamic acid
CID 138398495
1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
CID 102450408

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 170557372) is 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole is c1ccc(Cn2cc(C3CCn4c3cc3ccccc34)c3ccccc32)cc1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is IHAHFWUOIGZYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-2-8-19(9-3-1)17-27-18-23(21-11-5-7-13-25(21)27)22-14-15-28-24-12-6-4-10-20(24)16-26(22)28/h1-13,16,18,22H,14-15,17H2.
What are the key properties of 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 362.48 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 170557372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).