2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid

C11H13N3O3 — CID 103251735

IUPAC2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCn1ccnc1CNCc1occc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-14-4-3-13-10(14)7-12-6-9-8(11(15)16)2-5-17-9/h2-5,12H,6-7H2,1H3,(H,15,16)
InChIKeySXXQZAFDFXYRSZ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.00
Rot. Bonds5

About 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid

2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103251735) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID103251735
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCn1ccnc1CNCc1occc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-14-4-3-13-10(14)7-12-6-9-8(11(15)16)2-5-17-9/h2-5,12H,6-7H2,1H3,(H,15,16)
InChIKeySXXQZAFDFXYRSZ-UHFFFAOYSA-N
XLogP1.00
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103248625
2-methyl-5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103251738
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[[(5-ethylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106004291
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63026364
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid (CID 103251735) is 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid is Cn1ccnc1CNCc1occc1C(=O)O.
What is the InChIKey of 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is SXXQZAFDFXYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-14-4-3-13-10(14)7-12-6-9-8(11(15)16)2-5-17-9/h2-5,12H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103251735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).