[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone

C21H21N3O — CID 22645663

IUPAC[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCn1c(C(=O)c2cc3ccccc3[nH]2)cc2ccccc21
InChIInChI=1S/C21H21N3O/c1-23(2)11-12-24-19-10-6-4-8-16(19)14-20(24)21(25)18-13-15-7-3-5-9-17(15)22-18/h3-10,13-14,22H,11-12H2,1-2H3
InChIKeyKHPSASKGGVUVNU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.92
Rot. Bonds5

About [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone

[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone (PubChem CID 22645663) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone
PubChem CID22645663
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCn1c(C(=O)c2cc3ccccc3[nH]2)cc2ccccc21
InChIInChI=1S/C21H21N3O/c1-23(2)11-12-24-19-10-6-4-8-16(19)14-20(24)21(25)18-13-15-7-3-5-9-17(15)22-18/h3-10,13-14,22H,11-12H2,1-2H3
InChIKeyKHPSASKGGVUVNU-UHFFFAOYSA-N
XLogP3.92
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone (CID 22645663) is [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone is CN(C)CCn1c(C(=O)c2cc3ccccc3[nH]2)cc2ccccc21.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone?
The InChIKey is KHPSASKGGVUVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-23(2)11-12-24-19-10-6-4-8-16(19)14-20(24)21(25)18-13-15-7-3-5-9-17(15)22-18/h3-10,13-14,22H,11-12H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone?
[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 22645663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).