dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate

C12H10K2N2O5 — CID 159846685

IUPACdipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
SMILESCOc1cc(C=O)ccc1-n1ccnc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C11H10N2O2.CH2O3.2K/c1-15-11-6-9(7-14)2-3-10(11)13-5-4-12-8-13;2-1(3)4;;/h2-8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyNPKAFKCEXNVRNR-UHFFFAOYSA-L
MW340.42 g/mol
LogP-6.75
Rot. Bonds3

About dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate

dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate (PubChem CID 159846685) has the molecular formula C12H10K2N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate.

Molecular Properties

Compound Namedipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
PubChem CID159846685
Molecular FormulaC12H10K2N2O5
Molecular Weight340.42 g/mol
Exact Mass339.99
IUPAC Namedipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
SMILESCOc1cc(C=O)ccc1-n1ccnc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C11H10N2O2.CH2O3.2K/c1-15-11-6-9(7-14)2-3-10(11)13-5-4-12-8-13;2-1(3)4;;/h2-8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyNPKAFKCEXNVRNR-UHFFFAOYSA-L
XLogP-6.75
TPSA107.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-6.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
2-imidazol-1-yl-5-methoxybenzaldehyde
CID 84670593
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
3-methoxy-4-(1,2,4-triazol-1-yl)benzaldehyde
CID 84671353
tert-butyl (2S)-2-[[(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enoyl]amino]-2-phenylacetate
CID 59170792
(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-2-methyl-N-[3-(2-methylphenyl)propyl]prop-2-enamide
CID 71216485
(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide
CID 59170805
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 159205677
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate?
The IUPAC name of dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate (CID 159846685) is dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate.
What is the SMILES notation for dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate?
The canonical SMILES for dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate is COc1cc(C=O)ccc1-n1ccnc1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate?
The InChIKey is NPKAFKCEXNVRNR-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10N2O2.CH2O3.2K/c1-15-11-6-9(7-14)2-3-10(11)13-5-4-12-8-13;2-1(3)4;;/h2-8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate?
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate has a molecular weight of 340.42 g/mol, XLogP of -6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate is sourced from PubChem (CID 159846685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).