2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine

C19H21N5O — CID 119140734

IUPAC2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\CCn1cnc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H21N5O/c20-19(23-15-9-12-25-18-8-4-1-5-14(15)18)21-10-11-24-13-22-16-6-2-3-7-17(16)24/h1-8,13,15H,9-12H2,(H3,20,21,23)
InChIKeyWNDLPBNLIBXNPC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine

2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine (PubChem CID 119140734) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
PubChem CID119140734
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\CCn1cnc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H21N5O/c20-19(23-15-9-12-25-18-8-4-1-5-14(15)18)21-10-11-24-13-22-16-6-2-3-7-17(16)24/h1-8,13,15H,9-12H2,(H3,20,21,23)
InChIKeyWNDLPBNLIBXNPC-UHFFFAOYSA-N
XLogP2.46
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.46
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'}

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Related Compounds

2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597758
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119140884
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 111597779
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111817826
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119146620
1-(3,4-dihydro-2H-chromen-4-yl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 119146600
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 119151942
N-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 119140657
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]guanidine;hydroiodide
CID 111599933
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(pyrazin-2-ylamino)ethyl]guanidine;hydroiodide
CID 119140787
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 119140967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine (CID 119140734) is 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine is N/C(=N\CCn1cnc2ccccc21)NC1CCOc2ccccc21.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The InChIKey is WNDLPBNLIBXNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-19(23-15-9-12-25-18-8-4-1-5-14(15)18)21-10-11-24-13-22-16-6-2-3-7-17(16)24/h1-8,13,15H,9-12H2,(H3,20,21,23).
What are the key properties of 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine has a molecular weight of 335.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine is sourced from PubChem (CID 119140734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).