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

C26H28ClN3O3 — CID 156786744

IUPACmethyl 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
SMILESCOC(=O)Cn1c(-c2ccccc2Cl)nc2c1CN(C1CCc3cccc(OC)c3C1)CC2
InChIInChI=1S/C26H28ClN3O3/c1-32-24-9-5-6-17-10-11-18(14-20(17)24)29-13-12-22-23(15-29)30(16-25(31)33-2)26(28-22)19-7-3-4-8-21(19)27/h3-9,18H,10-16H2,1-2H3
InChIKeyAGTABSCVQDXKCE-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.30
Rot. Bonds5

About 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

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 (PubChem CID 156786744) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID156786744
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Namemethyl 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
SMILESCOC(=O)Cn1c(-c2ccccc2Cl)nc2c1CN(C1CCc3cccc(OC)c3C1)CC2
InChIInChI=1S/C26H28ClN3O3/c1-32-24-9-5-6-17-10-11-18(14-20(17)24)29-13-12-22-23(15-29)30(16-25(31)33-2)26(28-22)19-7-3-4-8-21(19)27/h3-9,18H,10-16H2,1-2H3
InChIKeyAGTABSCVQDXKCE-UHFFFAOYSA-N
XLogP4.30
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
CID 156786845
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786888
2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786755
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 169007860
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
4-(2,3-dichlorophenyl)-N-[1-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidin-4-yl]benzamide
CID 44528882
N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide
CID 24803609
methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
CID 135389934
N-(7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696246

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)Cn1c(-c2ccccc2Cl)nc2c1CN(C1CCc3cccc(OC)c3C1)CC2.
What is the InChIKey of 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?
The InChIKey is AGTABSCVQDXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-32-24-9-5-6-17-10-11-18(14-20(17)24)29-13-12-22-23(15-29)30(16-25(31)33-2)26(28-22)19-7-3-4-8-21(19)27/h3-9,18H,10-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 465.98 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156786744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).