1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine

C19H25N5O — CID 119140830

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
SMILESN/C(=N\CCc1cn2c(n1)CCCC2)NC1CCOc2ccccc21
InChIInChI=1S/C19H25N5O/c20-19(23-16-9-12-25-17-6-2-1-5-15(16)17)21-10-8-14-13-24-11-4-3-7-18(24)22-14/h1-2,5-6,13,16H,3-4,7-12H2,(H3,20,21,23)
InChIKeyVBGNFCNQVBKWKI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine (PubChem CID 119140830) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
PubChem CID119140830
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
SMILESN/C(=N\CCc1cn2c(n1)CCCC2)NC1CCOc2ccccc21
InChIInChI=1S/C19H25N5O/c20-19(23-16-9-12-25-17-6-2-1-5-15(16)17)21-10-8-14-13-24-11-4-3-7-18(24)22-14/h1-2,5-6,13,16H,3-4,7-12H2,(H3,20,21,23)
InChIKeyVBGNFCNQVBKWKI-UHFFFAOYSA-N
XLogP2.19
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
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-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597502
1-(3,4-dihydro-2H-chromen-4-yl)-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)guanidine;hydroiodide
CID 119140713
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-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817234
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 119148401
2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 122096809
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-prop-2-ynylsulfanylethyl)guanidine
CID 119148066
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018676
1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-nitrophenyl)ethyl]guanidine
CID 119140918
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806285

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine (CID 119140830) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine is N/C(=N\CCc1cn2c(n1)CCCC2)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine?
The InChIKey is VBGNFCNQVBKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-19(23-16-9-12-25-17-6-2-1-5-15(16)17)21-10-8-14-13-24-11-4-3-7-18(24)22-14/h1-2,5-6,13,16H,3-4,7-12H2,(H3,20,21,23).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine has a molecular weight of 339.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine is sourced from PubChem (CID 119140830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).