2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide

C19H16N4O2 — CID 11244461

IUPAC2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2oc(Cc3cc4c(/C(N)=N/[H])cccc4o3)cc12
InChIInChI=1S/C19H16N4O2/c20-18(21)12-3-1-5-16-14(12)8-10(24-16)7-11-9-15-13(19(22)23)4-2-6-17(15)25-11/h1-6,8-9H,7H2,(H3,20,21)(H3,22,23)
InChIKeyFHXIQZAJYNPMGW-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.34
Rot. Bonds4

About 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide

2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide (PubChem CID 11244461) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide.

Molecular Properties

Compound Name2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide
PubChem CID11244461
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2oc(Cc3cc4c(/C(N)=N/[H])cccc4o3)cc12
InChIInChI=1S/C19H16N4O2/c20-18(21)12-3-1-5-16-14(12)8-10(24-16)7-11-9-15-13(19(22)23)4-2-6-17(15)25-11/h1-6,8-9H,7H2,(H3,20,21)(H3,22,23)
InChIKeyFHXIQZAJYNPMGW-UHFFFAOYSA-N
XLogP3.34
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.34
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide?
The IUPAC name of 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide (CID 11244461) is 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide.
What is the SMILES notation for 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide?
The canonical SMILES for 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide is [H]/N=C(\N)c1cccc2oc(Cc3cc4c(/C(N)=N/[H])cccc4o3)cc12.
What is the InChIKey of 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide?
The InChIKey is FHXIQZAJYNPMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-18(21)12-3-1-5-16-14(12)8-10(24-16)7-11-9-15-13(19(22)23)4-2-6-17(15)25-11/h1-6,8-9H,7H2,(H3,20,21)(H3,22,23).
What are the key properties of 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide?
2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide has a molecular weight of 332.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoyl-1-benzofuran-2-yl)methyl]-1-benzofuran-4-carboximidamide is sourced from PubChem (CID 11244461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).