2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C15H18N4O — CID 80573485

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CNc2ccccc21)NCCc1cnc[nH]1
InChIInChI=1S/C15H18N4O/c20-15(17-6-5-12-9-16-10-19-12)7-11-8-18-14-4-2-1-3-13(11)14/h1-4,9-11,18H,5-8H2,(H,16,19)(H,17,20)
InChIKeyWEHMGCXBGQIDFE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.67
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 80573485) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID80573485
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CNc2ccccc21)NCCc1cnc[nH]1
InChIInChI=1S/C15H18N4O/c20-15(17-6-5-12-9-16-10-19-12)7-11-8-18-14-4-2-1-3-13(11)14/h1-4,9-11,18H,5-8H2,(H,16,19)(H,17,20)
InChIKeyWEHMGCXBGQIDFE-UHFFFAOYSA-N
XLogP1.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 80573485) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is O=C(CC1CNc2ccccc21)NCCc1cnc[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is WEHMGCXBGQIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(17-6-5-12-9-16-10-19-12)7-11-8-18-14-4-2-1-3-13(11)14/h1-4,9-11,18H,5-8H2,(H,16,19)(H,17,20).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 80573485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).