(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

C15H19N3O — CID 66134741

IUPAC(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCCn1cncc1C(O)C1NCCc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-18-10-16-9-13(18)15(19)14-12-6-4-3-5-11(12)7-8-17-14/h3-6,9-10,14-15,17,19H,2,7-8H2,1H3
InChIKeySJLUTQBHTMAMKD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.82
Rot. Bonds3

About (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (PubChem CID 66134741) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
PubChem CID66134741
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCCn1cncc1C(O)C1NCCc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-18-10-16-9-13(18)15(19)14-12-6-4-3-5-11(12)7-8-17-14/h3-6,9-10,14-15,17,19H,2,7-8H2,1H3
InChIKeySJLUTQBHTMAMKD-UHFFFAOYSA-N
XLogP1.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 103572684
(3-ethylimidazol-4-yl)-pyrrolidin-2-ylmethanol
CID 66132894
(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 79584475
[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 115524947
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
CID 106676147
3-[hydroxy(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzonitrile
CID 115481178
(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
CID 66132890
1-(3-ethylimidazol-4-yl)prop-2-en-1-ol
CID 66132482
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
piperidin-2-yl-(3-propylimidazol-4-yl)methanol
CID 66129642
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795

Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The IUPAC name of (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (CID 66134741) is (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.
What is the SMILES notation for (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The canonical SMILES for (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is CCn1cncc1C(O)C1NCCc2ccccc21.
What is the InChIKey of (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The InChIKey is SJLUTQBHTMAMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-10-16-9-13(18)15(19)14-12-6-4-3-5-11(12)7-8-17-14/h3-6,9-10,14-15,17,19H,2,7-8H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol has a molecular weight of 257.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is sourced from PubChem (CID 66134741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).