1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine

C16H19N5O2 — CID 111824831

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
SMILESC/N=C(/NCCn1c(=O)[nH]c2ccccc21)NCc1ccco1
InChIInChI=1S/C16H19N5O2/c1-17-15(19-11-12-5-4-10-23-12)18-8-9-21-14-7-3-2-6-13(14)20-16(21)22/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H2,17,18,19)
InChIKeyNKVNRKNGSRBUNY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.29
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine

1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine (PubChem CID 111824831) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
PubChem CID111824831
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
SMILESC/N=C(/NCCn1c(=O)[nH]c2ccccc21)NCc1ccco1
InChIInChI=1S/C16H19N5O2/c1-17-15(19-11-12-5-4-10-23-12)18-8-9-21-14-7-3-2-6-13(14)20-16(21)22/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H2,17,18,19)
InChIKeyNKVNRKNGSRBUNY-UHFFFAOYSA-N
XLogP1.29
TPSA87.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
CID 111975016
1-[2-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111356692
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 113195542
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119114637
1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 120662345
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
CID 110934708
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4639143
1-[(2-ethylphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111635870
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine (CID 111824831) is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine is C/N=C(/NCCn1c(=O)[nH]c2ccccc21)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The InChIKey is NKVNRKNGSRBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-17-15(19-11-12-5-4-10-23-12)18-8-9-21-14-7-3-2-6-13(14)20-16(21)22/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H2,17,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine has a molecular weight of 313.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 111824831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).