3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide

C16H18N4O — CID 146440313

IUPAC3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
SMILESO=C(CCc1cnc[nH]1)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N4O/c21-16(6-5-14-10-17-11-19-14)18-8-7-13-9-12-3-1-2-4-15(12)20-13/h1-4,9-11,20H,5-8H2,(H,17,19)(H,18,21)
InChIKeyZJGUPUWDVJBUDK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.18
Rot. Bonds6

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

3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide (PubChem CID 146440313) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
PubChem CID146440313
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
SMILESO=C(CCc1cnc[nH]1)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N4O/c21-16(6-5-14-10-17-11-19-14)18-8-7-13-9-12-3-1-2-4-15(12)20-13/h1-4,9-11,20H,5-8H2,(H,17,19)(H,18,21)
InChIKeyZJGUPUWDVJBUDK-UHFFFAOYSA-N
XLogP2.18
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide (CID 146440313) is 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide is O=C(CCc1cnc[nH]1)NCCc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The InChIKey is ZJGUPUWDVJBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(6-5-14-10-17-11-19-14)18-8-7-13-9-12-3-1-2-4-15(12)20-13/h1-4,9-11,20H,5-8H2,(H,17,19)(H,18,21).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide has a molecular weight of 282.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide is sourced from PubChem (CID 146440313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).