5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid

C19H22N4O3 — CID 67885256

IUPAC5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
SMILESCN1CCC(Nc2nc3ccccc3n2Cc2cc(C(=O)O)co2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-8-6-14(7-9-22)20-19-21-16-4-2-3-5-17(16)23(19)11-15-10-13(12-26-15)18(24)25/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,21)(H,24,25)
InChIKeyILRCJGPKACVVNM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds5

About 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid

5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 67885256) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
PubChem CID67885256
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
SMILESCN1CCC(Nc2nc3ccccc3n2Cc2cc(C(=O)O)co2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-8-6-14(7-9-22)20-19-21-16-4-2-3-5-17(16)23(19)11-15-10-13(12-26-15)18(24)25/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,21)(H,24,25)
InChIKeyILRCJGPKACVVNM-UHFFFAOYSA-N
XLogP2.88
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
1-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-1-sulfanylurea
CID 88707524
ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 22009363
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
4-[4-[(1-benzylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 12891552
1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide
CID 19105058
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
ethyl 3-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate
CID 19734400

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid (CID 67885256) is 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid is CN1CCC(Nc2nc3ccccc3n2Cc2cc(C(=O)O)co2)CC1.
What is the InChIKey of 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is ILRCJGPKACVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-8-6-14(7-9-22)20-19-21-16-4-2-3-5-17(16)23(19)11-15-10-13(12-26-15)18(24)25/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid?
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 67885256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).