1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone

C21H20N2O — CID 110831099

IUPAC1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone
SMILESCC(C)c1ccc2c(ccn2CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N2O/c1-14(2)15-7-8-20-16(11-15)9-10-23(20)13-21(24)18-12-22-19-6-4-3-5-17(18)19/h3-12,14,22H,13H2,1-2H3
InChIKeyMNFNXMWJEDIAOM-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.13
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone

1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone (PubChem CID 110831099) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone
PubChem CID110831099
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone
SMILESCC(C)c1ccc2c(ccn2CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N2O/c1-14(2)15-7-8-20-16(11-15)9-10-23(20)13-21(24)18-12-22-19-6-4-3-5-17(18)19/h3-12,14,22H,13H2,1-2H3
InChIKeyMNFNXMWJEDIAOM-UHFFFAOYSA-N
XLogP5.13
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone
CID 110831104
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
CID 29147453
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
1-(1H-indol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanone
CID 7224515
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
2-(1H-indol-3-yl)-N-[2-(2-methylindol-1-yl)ethyl]-2-oxoacetamide
CID 20879509
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063777

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone (CID 110831099) is 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone is CC(C)c1ccc2c(ccn2CC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The InChIKey is MNFNXMWJEDIAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14(2)15-7-8-20-16(11-15)9-10-23(20)13-21(24)18-12-22-19-6-4-3-5-17(18)19/h3-12,14,22H,13H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone?
1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone is sourced from PubChem (CID 110831099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).