2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide

C16H19N3O — CID 95125863

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCCn1ccnc1
InChIInChI=1S/C16H19N3O/c20-16(18-8-10-19-9-7-17-12-19)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,7,9,12,14H,5-6,8,10-11H2,(H,18,20)/t14-/m1/s1
InChIKeyJHUBRVYOJWBTDU-CQSZACIVSA-N
MW269.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide (PubChem CID 95125863) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
PubChem CID95125863
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCCn1ccnc1
InChIInChI=1S/C16H19N3O/c20-16(18-8-10-19-9-7-17-12-19)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,7,9,12,14H,5-6,8,10-11H2,(H,18,20)/t14-/m1/s1
InChIKeyJHUBRVYOJWBTDU-CQSZACIVSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 97147749
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 72890558
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 70734709
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)acetamide
CID 50966574
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide (CID 95125863) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide is O=C(C[C@H]1CCc2ccccc21)NCCn1ccnc1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The InChIKey is JHUBRVYOJWBTDU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-8-10-19-9-7-17-12-19)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,7,9,12,14H,5-6,8,10-11H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide is sourced from PubChem (CID 95125863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).