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

C27H27N3O2 — CID 20523540

IUPAC3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCc1[nH]c2ccccc2c1C1(c2ccc(N(C)C)cc2N(C)C)OC(=O)c2ccccc21
InChIInChI=1S/C27H27N3O2/c1-17-25(20-11-7-9-13-23(20)28-17)27(21-12-8-6-10-19(21)26(31)32-27)22-15-14-18(29(2)3)16-24(22)30(4)5/h6-16,28H,1-5H3
InChIKeyGWMBDHNMBLZDNE-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.07
Rot. Bonds4

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

3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one (PubChem CID 20523540) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
PubChem CID20523540
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCc1[nH]c2ccccc2c1C1(c2ccc(N(C)C)cc2N(C)C)OC(=O)c2ccccc21
InChIInChI=1S/C27H27N3O2/c1-17-25(20-11-7-9-13-23(20)28-17)27(21-12-8-6-10-19(21)26(31)32-27)22-15-14-18(29(2)3)16-24(22)30(4)5/h6-16,28H,1-5H3
InChIKeyGWMBDHNMBLZDNE-UHFFFAOYSA-N
XLogP5.07
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzylbenzene;3-[4-(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 159967155
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
5-(dimethylamino)-3,3-bis(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 22035409
3-(1,2-dimethylindol-3-yl)-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 22755094
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21244010
6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54258165
1'-[N-chloro-3-(dimethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139686991
6'-(dimethylamino)-N,N-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-amine oxide
CID 126580660
3-[4-(diethylamino)phenyl]-3-(2-propyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 174979583
3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 13284375
2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
CID 56638972

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one (CID 20523540) is 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one is Cc1[nH]c2ccccc2c1C1(c2ccc(N(C)C)cc2N(C)C)OC(=O)c2ccccc21.
What is the InChIKey of 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one?
The InChIKey is GWMBDHNMBLZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-17-25(20-11-7-9-13-23(20)28-17)27(21-12-8-6-10-19(21)26(31)32-27)22-15-14-18(29(2)3)16-24(22)30(4)5/h6-16,28H,1-5H3.
What are the key properties of 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one?
3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one has a molecular weight of 425.53 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 20523540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).