1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone

C17H20N2O — CID 79744199

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CCc2ccccc21
InChIInChI=1S/C17H20N2O/c1-2-10-19-11-9-18-17(19)12-16(20)15-8-7-13-5-3-4-6-14(13)15/h3-6,9,11,15H,2,7-8,10,12H2,1H3
InChIKeyHSXUGKRKPLSOJK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone

1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 79744199) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID79744199
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CCc2ccccc21
InChIInChI=1S/C17H20N2O/c1-2-10-19-11-9-18-17(19)12-16(20)15-8-7-13-5-3-4-6-14(13)15/h3-6,9,11,15H,2,7-8,10,12H2,1H3
InChIKeyHSXUGKRKPLSOJK-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784823
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
1-(3-methyl-1,4-dithian-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115385686
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
CID 116561696
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone (CID 79744199) is 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is HSXUGKRKPLSOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-10-19-11-9-18-17(19)12-16(20)15-8-7-13-5-3-4-6-14(13)15/h3-6,9,11,15H,2,7-8,10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone?
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).