1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol

C13H14N2O — CID 10560585

IUPAC1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol
SMILESCc1cccc2c1CCC2(O)c1cnc[nH]1
InChIInChI=1S/C13H14N2O/c1-9-3-2-4-11-10(9)5-6-13(11,16)12-7-14-8-15-12/h2-4,7-8,16H,5-6H2,1H3,(H,14,15)
InChIKeyXLNHOJXJKJJVGD-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.90
Rot. Bonds1

About 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol

1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol (PubChem CID 10560585) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol
PubChem CID10560585
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol
SMILESCc1cccc2c1CCC2(O)c1cnc[nH]1
InChIInChI=1S/C13H14N2O/c1-9-3-2-4-11-10(9)5-6-13(11,16)12-7-14-8-15-12/h2-4,7-8,16H,5-6H2,1H3,(H,14,15)
InChIKeyXLNHOJXJKJJVGD-UHFFFAOYSA-N
XLogP1.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol (CID 10560585) is 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol is Cc1cccc2c1CCC2(O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol?
The InChIKey is XLNHOJXJKJJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-3-2-4-11-10(9)5-6-13(11,16)12-7-14-8-15-12/h2-4,7-8,16H,5-6H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol?
1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol has a molecular weight of 214.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-4-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 10560585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).