2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C19H21N3O3 — CID 56812469

IUPAC2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(Cn1cnc3ccccc31)CC2O
InChIInChI=1S/C19H21N3O3/c1-24-17-7-8-18(25-2)19-13(17)9-21(10-16(19)23)12-22-11-20-14-5-3-4-6-15(14)22/h3-8,11,16,23H,9-10,12H2,1-2H3
InChIKeyIOSWMUDGRUGCEY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.56
Rot. Bonds4

About 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 56812469) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID56812469
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(Cn1cnc3ccccc31)CC2O
InChIInChI=1S/C19H21N3O3/c1-24-17-7-8-18(25-2)19-13(17)9-21(10-16(19)23)12-22-11-20-14-5-3-4-6-15(14)22/h3-8,11,16,23H,9-10,12H2,1-2H3
InChIKeyIOSWMUDGRUGCEY-UHFFFAOYSA-N
XLogP2.56
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(benzimidazol-1-yl)phenyl]-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 78824493
3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CID 43063654
5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 24508481
(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 51643283
2-[2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-quinazolin-4-one
CID 136577881
(4S)-5,8-dimethoxy-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 51964070
5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 119929813
(4R)-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 51952713
(4S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103734
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56798625
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 47555657

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 56812469) is 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(Cn1cnc3ccccc31)CC2O.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is IOSWMUDGRUGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-7-8-18(25-2)19-13(17)9-21(10-16(19)23)12-22-11-20-14-5-3-4-6-15(14)22/h3-8,11,16,23H,9-10,12H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 339.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 56812469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).