1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one

C24H20N2O2 — CID 164523817

IUPAC1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
SMILESCc1cccc2c1N(Cc1ccccc1)C(=O)C2(O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2O2/c1-16-8-7-12-19-22(16)26(15-17-9-3-2-4-10-17)23(27)24(19,28)20-14-25-21-13-6-5-11-18(20)21/h2-14,25,28H,15H2,1H3
InChIKeyKNBHGJKSRAFAPW-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.26
Rot. Bonds3

About 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one

1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one (PubChem CID 164523817) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
PubChem CID164523817
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
SMILESCc1cccc2c1N(Cc1ccccc1)C(=O)C2(O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2O2/c1-16-8-7-12-19-22(16)26(15-17-9-3-2-4-10-17)23(27)24(19,28)20-14-25-21-13-6-5-11-18(20)21/h2-14,25,28H,15H2,1H3
InChIKeyKNBHGJKSRAFAPW-UHFFFAOYSA-N
XLogP4.26
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
2-(1-benzyl-3,7-dimethyl-2-oxoindol-3-yl)acetic acid
CID 175312134
1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
CID 10742140
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
1-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)sulfonyl-7-(trifluoromethyl)indol-2-one
CID 102103192
(2R)-1'-benzyl-7'-methylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222382
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
(3S)-1-benzyl-3-hydroxy-4,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 41254809
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 41145231
(3R)-1-benzyl-3-(2,3-dimethyl-1H-indol-6-yl)-3-(1H-indol-3-yl)indol-2-one
CID 139093857
(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one (CID 164523817) is 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one is Cc1cccc2c1N(Cc1ccccc1)C(=O)C2(O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one?
The InChIKey is KNBHGJKSRAFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-8-7-12-19-22(16)26(15-17-9-3-2-4-10-17)23(27)24(19,28)20-14-25-21-13-6-5-11-18(20)21/h2-14,25,28H,15H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one?
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one has a molecular weight of 368.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one is sourced from PubChem (CID 164523817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).