1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone

C18H15N3O — CID 112526956

IUPAC1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
SMILESNc1cn(C(=O)Cc2ccc3[nH]ccc3c2)c2ccccc12
InChIInChI=1S/C18H15N3O/c19-15-11-21(17-4-2-1-3-14(15)17)18(22)10-12-5-6-16-13(9-12)7-8-20-16/h1-9,11,20H,10,19H2
InChIKeyIAOINFAXEHQLDQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.59
Rot. Bonds2

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

1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone (PubChem CID 112526956) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
PubChem CID112526956
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
SMILESNc1cn(C(=O)Cc2ccc3[nH]ccc3c2)c2ccccc12
InChIInChI=1S/C18H15N3O/c19-15-11-21(17-4-2-1-3-14(15)17)18(22)10-12-5-6-16-13(9-12)7-8-20-16/h1-9,11,20H,10,19H2
InChIKeyIAOINFAXEHQLDQ-UHFFFAOYSA-N
XLogP3.59
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one
CID 112522772
1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
CID 158169595
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112525009
(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
CID 112526940
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
N-(1H-indol-5-ylmethyl)-3-tritylsulfanylpropanamide
CID 24860948
2-(1H-indol-5-yl)acetic acid;4-nitro-1H-indole
CID 70295344

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone?
The IUPAC name of 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone (CID 112526956) is 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone is Nc1cn(C(=O)Cc2ccc3[nH]ccc3c2)c2ccccc12.
What is the InChIKey of 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone?
The InChIKey is IAOINFAXEHQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-15-11-21(17-4-2-1-3-14(15)17)18(22)10-12-5-6-16-13(9-12)7-8-20-16/h1-9,11,20H,10,19H2.
What are the key properties of 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone?
1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone has a molecular weight of 289.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 112526956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).