5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole

C26H22N2O — CID 139228316

IUPAC5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole
SMILESCC(c1ccc2c(c1)CCN2)(c1ccc2[nH]ccc2c1)c1cc2ccccc2o1
InChIInChI=1S/C26H22N2O/c1-26(20-6-8-22-17(14-20)10-12-27-22,21-7-9-23-18(15-21)11-13-28-23)25-16-19-4-2-3-5-24(19)29-25/h2-10,12,14-16,27-28H,11,13H2,1H3
InChIKeyCWTGNTGDBRHZAZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.24
Rot. Bonds3

About 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole

5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole (PubChem CID 139228316) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole
PubChem CID139228316
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole
SMILESCC(c1ccc2c(c1)CCN2)(c1ccc2[nH]ccc2c1)c1cc2ccccc2o1
InChIInChI=1S/C26H22N2O/c1-26(20-6-8-22-17(14-20)10-12-27-22,21-7-9-23-18(15-21)11-13-28-23)25-16-19-4-2-3-5-24(19)29-25/h2-10,12,14-16,27-28H,11,13H2,1H3
InChIKeyCWTGNTGDBRHZAZ-UHFFFAOYSA-N
XLogP6.24
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
CID 11501108
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 23647550
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647557
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(pyrrolidin-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647561
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647562
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-pyrrol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647563
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-indol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647564

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole?
The IUPAC name of 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole (CID 139228316) is 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole.
What is the SMILES notation for 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole?
The canonical SMILES for 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole is CC(c1ccc2c(c1)CCN2)(c1ccc2[nH]ccc2c1)c1cc2ccccc2o1.
What is the InChIKey of 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole?
The InChIKey is CWTGNTGDBRHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-26(20-6-8-22-17(14-20)10-12-27-22,21-7-9-23-18(15-21)11-13-28-23)25-16-19-4-2-3-5-24(19)29-25/h2-10,12,14-16,27-28H,11,13H2,1H3.
What are the key properties of 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole?
5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole has a molecular weight of 378.48 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-1H-indole is sourced from PubChem (CID 139228316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).