3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one

C26H26N4O2 — CID 21226359

IUPAC3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCNc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)c2ccccc2n1NC
InChIInChI=1S/C26H26N4O2/c1-27-24-23(20-10-6-8-12-22(20)30(24)28-2)26(17-13-15-18(16-14-17)29(3)4)21-11-7-5-9-19(21)25(31)32-26/h5-16,27-28H,1-4H3
InChIKeyQVLMURXSBNAVPP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.38
Rot. Bonds5

About 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one

3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one (PubChem CID 21226359) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
PubChem CID21226359
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCNc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)c2ccccc2n1NC
InChIInChI=1S/C26H26N4O2/c1-27-24-23(20-10-6-8-12-22(20)30(24)28-2)26(17-13-15-18(16-14-17)29(3)4)21-11-7-5-9-19(21)25(31)32-26/h5-16,27-28H,1-4H3
InChIKeyQVLMURXSBNAVPP-UHFFFAOYSA-N
XLogP4.38
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958
3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
CID 70576549
benzylbenzene;3-[4-(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 159967155
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
CID 54327982
5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139885356
3-[4-(dibutylamino)phenyl]-3-(1-ethyl-2-phenylindol-3-yl)-2-benzofuran-1-one
CID 139704931
4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 142701489
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21244010
3,3-bis(4-anilinophenyl)-6-(dimethylamino)-2-benzofuran-1-one
CID 154100598

Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The IUPAC name of 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one (CID 21226359) is 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one.
What is the SMILES notation for 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The canonical SMILES for 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one is CNc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)c2ccccc2n1NC.
What is the InChIKey of 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The InChIKey is QVLMURXSBNAVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-27-24-23(20-10-6-8-12-22(20)30(24)28-2)26(17-13-15-18(16-14-17)29(3)4)21-11-7-5-9-19(21)25(31)32-26/h5-16,27-28H,1-4H3.
What are the key properties of 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one has a molecular weight of 426.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one is sourced from PubChem (CID 21226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).