1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol

C15H18N2O — CID 115820450

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-17-8-7-16-15(17)10-14(18)13-6-5-11-3-2-4-12(11)9-13/h5-9,14,18H,2-4,10H2,1H3
InChIKeyPNFSWFLXNFPCHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.18
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 115820450) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID115820450
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-17-8-7-16-15(17)10-14(18)13-6-5-11-3-2-4-12(11)9-13/h5-9,14,18H,2-4,10H2,1H3
InChIKeyPNFSWFLXNFPCHD-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308266
1-(furan-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744054
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115806384
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 115820450) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is PNFSWFLXNFPCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-8-7-16-15(17)10-14(18)13-6-5-11-3-2-4-12(11)9-13/h5-9,14,18H,2-4,10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol?
1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 115820450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).