potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate

C17H16KN3O3 — CID 68822538

IUPACpotassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate
SMILESO=C([O-])c1ccc(Cn2cnc(CNCc3ccco3)c2)cc1.[K+]
InChIInChI=1S/C17H17N3O3.K/c21-17(22)14-5-3-13(4-6-14)10-20-11-15(19-12-20)8-18-9-16-2-1-7-23-16;/h1-7,11-12,18H,8-10H2,(H,21,22);/q;+1/p-1
InChIKeyQMMWVWYHXNQBNC-UHFFFAOYSA-M
MW349.43 g/mol
LogP-1.82
Rot. Bonds7

About potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate

potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate (PubChem CID 68822538) has the molecular formula C17H16KN3O3 and a molecular weight of 349.43 g/mol. Its IUPAC name is potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namepotassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate
PubChem CID68822538
Molecular FormulaC17H16KN3O3
Molecular Weight349.43 g/mol
Exact Mass349.08
IUPAC Namepotassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate
SMILESO=C([O-])c1ccc(Cn2cnc(CNCc3ccco3)c2)cc1.[K+]
InChIInChI=1S/C17H17N3O3.K/c21-17(22)14-5-3-13(4-6-14)10-20-11-15(19-12-20)8-18-9-16-2-1-7-23-16;/h1-7,11-12,18H,8-10H2,(H,21,22);/q;+1/p-1
InChIKeyQMMWVWYHXNQBNC-UHFFFAOYSA-M
XLogP-1.82
TPSA83.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine
CID 107500713
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
CID 115114560
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
1-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 17382599
N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 39037115
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 9080748
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061

Frequently Asked Questions

What is the IUPAC name of potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate?
The IUPAC name of potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate (CID 68822538) is potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate?
The canonical SMILES for potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate is O=C([O-])c1ccc(Cn2cnc(CNCc3ccco3)c2)cc1.[K+].
What is the InChIKey of potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate?
The InChIKey is QMMWVWYHXNQBNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17N3O3.K/c21-17(22)14-5-3-13(4-6-14)10-20-11-15(19-12-20)8-18-9-16-2-1-7-23-16;/h1-7,11-12,18H,8-10H2,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate?
potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate has a molecular weight of 349.43 g/mol, XLogP of -1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 68822538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).