2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline

C18H21N3O — CID 142643854

IUPAC2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCOc1cccc3c1NCN3)C2
InChIInChI=1S/C18H21N3O/c1-2-5-15-12-21(9-8-14(15)4-1)10-11-22-17-7-3-6-16-18(17)20-13-19-16/h1-7,19-20H,8-13H2
InChIKeyTWCLRUZLKOXFPZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 142643854) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID142643854
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCOc1cccc3c1NCN3)C2
InChIInChI=1S/C18H21N3O/c1-2-5-15-12-21(9-8-14(15)4-1)10-11-22-17-7-3-6-16-18(17)20-13-19-16/h1-7,19-20H,8-13H2
InChIKeyTWCLRUZLKOXFPZ-UHFFFAOYSA-N
XLogP2.92
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one
CID 10688703
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
2-(2-pyrazolo[1,5-a]pyridin-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline
CID 71712147
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]pyridine-2-carbonitrile
CID 177365476
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline (CID 142643854) is 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CCOc1cccc3c1NCN3)C2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is TWCLRUZLKOXFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-5-15-12-21(9-8-14(15)4-1)10-11-22-17-7-3-6-16-18(17)20-13-19-16/h1-7,19-20H,8-13H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 295.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142643854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).