1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone

C16H19N3O — CID 102662460

IUPAC1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCCn1cncc1CN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C16H19N3O/c1-3-18-11-17-9-15(18)10-19-7-6-14-8-13(12(2)20)4-5-16(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyCJLNFUDNQPPJQL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.67
Rot. Bonds4

About 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone

1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662460) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662460
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCCn1cncc1CN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C16H19N3O/c1-3-18-11-17-9-15(18)10-19-7-6-14-8-13(12(2)20)4-5-16(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyCJLNFUDNQPPJQL-UHFFFAOYSA-N
XLogP2.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone (CID 102662460) is 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone is CCn1cncc1CN1CCc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is CJLNFUDNQPPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-18-11-17-9-15(18)10-19-7-6-14-8-13(12(2)20)4-5-16(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3.
What are the key properties of 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 269.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).