1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol

C27H32ClN3O3 — CID 156786765

IUPAC1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc2c(c1)CN(C1CCc3c(nc(-c4ccccc4Cl)n3C)C1)CC2
InChIInChI=1S/C27H32ClN3O3/c1-30-26-10-8-20(14-25(26)29-27(30)23-5-3-4-6-24(23)28)31-12-11-18-7-9-22(13-19(18)15-31)34-17-21(32)16-33-2/h3-7,9,13,20-21,32H,8,10-12,14-17H2,1-2H3
InChIKeyFFQFBFZMFQAPSB-UHFFFAOYSA-N
MW482.02 g/mol
LogP4.04
Rot. Bonds7

About 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol

1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol (PubChem CID 156786765) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol
PubChem CID156786765
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc2c(c1)CN(C1CCc3c(nc(-c4ccccc4Cl)n3C)C1)CC2
InChIInChI=1S/C27H32ClN3O3/c1-30-26-10-8-20(14-25(26)29-27(30)23-5-3-4-6-24(23)28)31-12-11-18-7-9-22(13-19(18)15-31)34-17-21(32)16-33-2/h3-7,9,13,20-21,32H,8,10-12,14-17H2,1-2H3
InChIKeyFFQFBFZMFQAPSB-UHFFFAOYSA-N
XLogP4.04
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.02
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol with MolForge

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Related Compounds

5-[(2S)-7-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786867
2-(2-chlorophenyl)-5-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786922
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786888
methyl 2-[2-(2-chlorophenyl)-5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl]acetate
CID 156786744
5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786859
1-(4-chloro-3-methylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
CID 2944905
2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786833
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 143379957
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol (CID 156786765) is 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol is COCC(O)COc1ccc2c(c1)CN(C1CCc3c(nc(-c4ccccc4Cl)n3C)C1)CC2.
What is the InChIKey of 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol?
The InChIKey is FFQFBFZMFQAPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c1-30-26-10-8-20(14-25(26)29-27(30)23-5-3-4-6-24(23)28)31-12-11-18-7-9-22(13-19(18)15-31)34-17-21(32)16-33-2/h3-7,9,13,20-21,32H,8,10-12,14-17H2,1-2H3.
What are the key properties of 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol?
1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol has a molecular weight of 482.02 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 156786765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).