1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide

C22H33IN4O2 — CID 111862241

IUPAC1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
SMILESCC(C)Oc1ccc(N/C(=N/CC2CCN(C)C2)NCCc2ccco2)cc1.I
InChIInChI=1S/C22H32N4O2.HI/c1-17(2)28-21-8-6-19(7-9-21)25-22(23-12-10-20-5-4-14-27-20)24-15-18-11-13-26(3)16-18;/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H2,23,24,25);1H
InChIKeyDHTVLBNDZARUSN-UHFFFAOYSA-N
MW512.44 g/mol
LogP4.24
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide (PubChem CID 111862241) has the molecular formula C22H33IN4O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
PubChem CID111862241
Molecular FormulaC22H33IN4O2
Molecular Weight512.44 g/mol
Exact Mass512.16
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
SMILESCC(C)Oc1ccc(N/C(=N/CC2CCN(C)C2)NCCc2ccco2)cc1.I
InChIInChI=1S/C22H32N4O2.HI/c1-17(2)28-21-8-6-19(7-9-21)25-22(23-12-10-20-5-4-14-27-20)24-15-18-11-13-26(3)16-18;/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H2,23,24,25);1H
InChIKeyDHTVLBNDZARUSN-UHFFFAOYSA-N
XLogP4.24
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862109
1-[2-(furan-2-yl)ethyl]-2-(4-morpholin-4-ylbutyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862304
1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862031
1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862219
1-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)pentyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111862389
2-[[[2-(furan-2-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]-N-propylacetamide
CID 111862149
1-[2-(furan-2-yl)ethyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111861994
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(furan-2-yl)ethyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111862372
3-[[[[2-(furan-2-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111862235
1-butan-2-yl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842137
N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
CID 111871084
2-(cyclopropylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111668789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide (CID 111862241) is 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide is CC(C)Oc1ccc(N/C(=N/CC2CCN(C)C2)NCCc2ccco2)cc1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The InChIKey is DHTVLBNDZARUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2.HI/c1-17(2)28-21-8-6-19(7-9-21)25-22(23-12-10-20-5-4-14-27-20)24-15-18-11-13-26(3)16-18;/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H2,23,24,25);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide has a molecular weight of 512.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111862241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).