2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide

C19H20N6O — CID 11739527

IUPAC2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4c(n3)CCC(/C(N)=N/[H])C4)o2)cc1
InChIInChI=1S/C19H20N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-4,6-7,10,13H,5,8-9H2,(H3,20,21)(H3,22,23)
InChIKeyJXYYCJXMMMWGJM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.59
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide

2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide (PubChem CID 11739527) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
PubChem CID11739527
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4c(n3)CCC(/C(N)=N/[H])C4)o2)cc1
InChIInChI=1S/C19H20N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-4,6-7,10,13H,5,8-9H2,(H3,20,21)(H3,22,23)
InChIKeyJXYYCJXMMMWGJM-UHFFFAOYSA-N
XLogP2.59
TPSA130.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide (CID 11739527) is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cn4c(n3)CCC(/C(N)=N/[H])C4)o2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide?
The InChIKey is JXYYCJXMMMWGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-4,6-7,10,13H,5,8-9H2,(H3,20,21)(H3,22,23).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide?
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide has a molecular weight of 348.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide is sourced from PubChem (CID 11739527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).