1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane

C15H16Cl4N2O2Sn — CID 160803449

IUPAC1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane
SMILESCOc1cc2c(cc1C=O)CCC2Cc1cnc[nH]1.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/C15H16N2O2.4ClH.Sn/c1-19-15-6-14-10(4-12(15)8-18)2-3-11(14)5-13-7-16-9-17-13;;;;;/h4,6-9,11H,2-3,5H2,1H3,(H,16,17);4*1H;/q;;;;;+4/p-4
InChIKeySDJPHNFPDNVVHN-UHFFFAOYSA-J
MW516.83 g/mol
LogP4.88
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane

1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane (PubChem CID 160803449) has the molecular formula C15H16Cl4N2O2Sn and a molecular weight of 516.83 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane
PubChem CID160803449
Molecular FormulaC15H16Cl4N2O2Sn
Molecular Weight516.83 g/mol
Exact Mass515.90
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane
SMILESCOc1cc2c(cc1C=O)CCC2Cc1cnc[nH]1.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/C15H16N2O2.4ClH.Sn/c1-19-15-6-14-10(4-12(15)8-18)2-3-11(14)5-13-7-16-9-17-13;;;;;/h4,6-9,11H,2-3,5H2,1H3,(H,16,17);4*1H;/q;;;;;+4/p-4
InChIKeySDJPHNFPDNVVHN-UHFFFAOYSA-J
XLogP4.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(7-tert-butyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-1H-imidazole;sulfuric acid
CID 160676209
5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
CID 58681399
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
5-[[(1Z)-1-(isocyanomethylidene)-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-imidazole
CID 23549521
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110649068
methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397399
2-cyclopropyl-4-[3-(1H-imidazol-5-yl)propoxy]benzaldehyde
CID 87137018
(11S)-4,5,15-trimethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3(8),4,6,12,14,16-hexaene-14-carbaldehyde
CID 155051488

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane (CID 160803449) is 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane is COc1cc2c(cc1C=O)CCC2Cc1cnc[nH]1.Cl[Sn](Cl)(Cl)Cl.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane?
The InChIKey is SDJPHNFPDNVVHN-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H16N2O2.4ClH.Sn/c1-19-15-6-14-10(4-12(15)8-18)2-3-11(14)5-13-7-16-9-17-13;;;;;/h4,6-9,11H,2-3,5H2,1H3,(H,16,17);4*1H;/q;;;;;+4/p-4.
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane?
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane has a molecular weight of 516.83 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde;tetrachlorostannane is sourced from PubChem (CID 160803449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).