2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide

C22H19N5O — CID 67581674

IUPAC2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(/C=C/c3cc4cc(C5=NCCN5)ccc4[nH]3)cc2c1
InChIInChI=1S/C22H19N5O/c23-21(24)13-2-6-20-16(9-13)12-18(28-20)4-3-17-11-15-10-14(1-5-19(15)27-17)22-25-7-8-26-22/h1-6,9-12,27H,7-8H2,(H3,23,24)(H,25,26)/b4-3+
InChIKeyGFOSVKXQUBZGQT-ONEGZZNKSA-N
MW369.43 g/mol
LogP3.72
Rot. Bonds4

About 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide

2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide (PubChem CID 67581674) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide
PubChem CID67581674
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(/C=C/c3cc4cc(C5=NCCN5)ccc4[nH]3)cc2c1
InChIInChI=1S/C22H19N5O/c23-21(24)13-2-6-20-16(9-13)12-18(28-20)4-3-17-11-15-10-14(1-5-19(15)27-17)22-25-7-8-26-22/h1-6,9-12,27H,7-8H2,(H3,23,24)(H,25,26)/b4-3+
InChIKeyGFOSVKXQUBZGQT-ONEGZZNKSA-N
XLogP3.72
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.72
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-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide (CID 67581674) is 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc2oc(/C=C/c3cc4cc(C5=NCCN5)ccc4[nH]3)cc2c1.
What is the InChIKey of 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide?
The InChIKey is GFOSVKXQUBZGQT-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H19N5O/c23-21(24)13-2-6-20-16(9-13)12-18(28-20)4-3-17-11-15-10-14(1-5-19(15)27-17)22-25-7-8-26-22/h1-6,9-12,27H,7-8H2,(H3,23,24)(H,25,26)/b4-3+.
What are the key properties of 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide?
2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide has a molecular weight of 369.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 67581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).