3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide

C16H20N4O — CID 114721852

IUPAC3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H20N4O/c1-2-18-15(21)7-9-20-11-17-10-14(20)13-5-3-4-12-6-8-19-16(12)13/h3-5,10-11,19H,2,6-9H2,1H3,(H,18,21)
InChIKeyCCYBUHBTURXBFP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds5

About 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide

3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide (PubChem CID 114721852) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
PubChem CID114721852
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H20N4O/c1-2-18-15(21)7-9-20-11-17-10-14(20)13-5-3-4-12-6-8-19-16(12)13/h3-5,10-11,19H,2,6-9H2,1H3,(H,18,21)
InChIKeyCCYBUHBTURXBFP-UHFFFAOYSA-N
XLogP2.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide (CID 114721852) is 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1cncc1-c1cccc2c1NCC2.
What is the InChIKey of 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide?
The InChIKey is CCYBUHBTURXBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-18-15(21)7-9-20-11-17-10-14(20)13-5-3-4-12-6-8-19-16(12)13/h3-5,10-11,19H,2,6-9H2,1H3,(H,18,21).
What are the key properties of 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide?
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 114721852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).