3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride

C13H15ClN2O — CID 6433097

IUPAC3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H
InChIKeyOYKZVKWXOWICFI-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.81
Rot. Bonds2

About 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride

3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride (PubChem CID 6433097) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride
PubChem CID6433097
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H
InChIKeyOYKZVKWXOWICFI-UHFFFAOYSA-N
XLogP2.81
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fadolmidine
CID 6433098
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
3-(1H-imidazol-4-yl)phenol
CID 24971332
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000
4-(1H-Imidazol-4-yl)phenol
CID 12463137
6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol
CID 23644753
4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)but-1-enyl]phenol
CID 166626188
4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol
CID 166627326
4-[1-(4-hydroxyphenyl)-2-(1H-imidazol-5-yl)prop-1-enyl]phenol
CID 166629324
4-[2-ethyl-1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)but-1-enyl]phenol
CID 166630890
4-[(2-amino-1H-imidazol-5-yl)methyl]phenol
CID 25029057

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The IUPAC name of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride (CID 6433097) is 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride is Cl.Oc1ccc2c(c1)C(Cc1cnc[nH]1)CC2.
What is the InChIKey of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The InChIKey is OYKZVKWXOWICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H.
What are the key properties of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride?
3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 6433097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).