(1-imidazol-1-ylisoquinolin-4-yl)methanol

C13H11N3O — CID 106768496

IUPAC(1-imidazol-1-ylisoquinolin-4-yl)methanol
SMILESOCc1cnc(-n2ccnc2)c2ccccc12
InChIInChI=1S/C13H11N3O/c17-8-10-7-15-13(16-6-5-14-9-16)12-4-2-1-3-11(10)12/h1-7,9,17H,8H2
InChIKeyYWNRUKCANIRLPM-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds2

About (1-imidazol-1-ylisoquinolin-4-yl)methanol

(1-imidazol-1-ylisoquinolin-4-yl)methanol (PubChem CID 106768496) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (1-imidazol-1-ylisoquinolin-4-yl)methanol.

Molecular Properties

Compound Name(1-imidazol-1-ylisoquinolin-4-yl)methanol
PubChem CID106768496
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(1-imidazol-1-ylisoquinolin-4-yl)methanol
SMILESOCc1cnc(-n2ccnc2)c2ccccc12
InChIInChI=1S/C13H11N3O/c17-8-10-7-15-13(16-6-5-14-9-16)12-4-2-1-3-11(10)12/h1-7,9,17H,8H2
InChIKeyYWNRUKCANIRLPM-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-imidazol-1-ylisoquinolin-4-yl)methyl]propan-1-amine
CID 106777122
[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol
CID 106768512
(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methanol
CID 83185080
[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol
CID 106768440
[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methanol
CID 106768108
3-imidazol-1-yl-1H-indazole
CID 173047046
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol
CID 174612893
2-chloro-4-imidazol-1-ylquinazoline
CID 15187963
2-[4-(hydroxymethyl)isoquinolin-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 106768399
3-chloro-1-imidazol-1-yl-4-pentylisoquinoline
CID 88838041

Frequently Asked Questions

What is the IUPAC name of (1-imidazol-1-ylisoquinolin-4-yl)methanol?
The IUPAC name of (1-imidazol-1-ylisoquinolin-4-yl)methanol (CID 106768496) is (1-imidazol-1-ylisoquinolin-4-yl)methanol.
What is the SMILES notation for (1-imidazol-1-ylisoquinolin-4-yl)methanol?
The canonical SMILES for (1-imidazol-1-ylisoquinolin-4-yl)methanol is OCc1cnc(-n2ccnc2)c2ccccc12.
What is the InChIKey of (1-imidazol-1-ylisoquinolin-4-yl)methanol?
The InChIKey is YWNRUKCANIRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-8-10-7-15-13(16-6-5-14-9-16)12-4-2-1-3-11(10)12/h1-7,9,17H,8H2.
What are the key properties of (1-imidazol-1-ylisoquinolin-4-yl)methanol?
(1-imidazol-1-ylisoquinolin-4-yl)methanol has a molecular weight of 225.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazol-1-ylisoquinolin-4-yl)methanol is sourced from PubChem (CID 106768496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).