1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

C22H20ClN3O3 — CID 152642855

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCn1c(Cl)cnc1CN1CC2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C22H20ClN3O3/c1-25-20(23)10-24-21(25)11-26-12-22(14-4-2-3-5-16(14)26)13-29-17-9-19-18(8-15(17)22)27-6-7-28-19/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyZFXXZEGRSCOVCR-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.54
Rot. Bonds2

About 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (PubChem CID 152642855) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
PubChem CID152642855
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCn1c(Cl)cnc1CN1CC2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C22H20ClN3O3/c1-25-20(23)10-24-21(25)11-26-12-22(14-4-2-3-5-16(14)26)13-29-17-9-19-18(8-15(17)22)27-6-7-28-19/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyZFXXZEGRSCOVCR-UHFFFAOYSA-N
XLogP3.54
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] with MolForge

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Related Compounds

(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
1-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357105
1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357144
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 86609007
1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 91416856
1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67356789
1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]spiro[2H-indole-3,8'-7H-furo[2,3-g][1,4]benzodioxine]-2'-one
CID 118434153
1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 150217407
1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]
CID 67312055
(3S)-6-methoxy-5-methyl-1'-[(4-methylpiperazin-1-yl)methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]
CID 154035374
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (CID 152642855) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is Cn1c(Cl)cnc1CN1CC2(COc3cc4c(cc32)OCCO4)c2ccccc21.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The InChIKey is ZFXXZEGRSCOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-25-20(23)10-24-21(25)11-26-12-22(14-4-2-3-5-16(14)26)13-29-17-9-19-18(8-15(17)22)27-6-7-28-19/h2-5,8-10H,6-7,11-13H2,1H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] has a molecular weight of 409.87 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is sourced from PubChem (CID 152642855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).