2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C14H16N2O — CID 116826135

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CC1=NCCN1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H16N2O/c17-13(9-14-15-6-7-16-14)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,16)
InChIKeyYBBFOMDMNZJTRY-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.75
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 116826135) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID116826135
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CC1=NCCN1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H16N2O/c17-13(9-14-15-6-7-16-14)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,16)
InChIKeyYBBFOMDMNZJTRY-UHFFFAOYSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116826199
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 116826135) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(CC1=NCCN1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is YBBFOMDMNZJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13(9-14-15-6-7-16-14)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 116826135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).