2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride

C18H16ClN5O — CID 44531225

IUPAC2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2[nH]c(-c3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1
InChIInChI=1S/C18H15N5O.ClH/c19-17(20)9-1-3-13-11(5-9)7-14(23-13)16-8-12-6-10(18(21)22)2-4-15(12)24-16;/h1-8,23H,(H3,19,20)(H3,21,22);1H
InChIKeyDCNQMIGNURSRAY-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.57
Rot. Bonds3

About 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride

2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride (PubChem CID 44531225) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride
PubChem CID44531225
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2[nH]c(-c3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1
InChIInChI=1S/C18H15N5O.ClH/c19-17(20)9-1-3-13-11(5-9)7-14(23-13)16-8-12-6-10(18(21)22)2-4-15(12)24-16;/h1-8,23H,(H3,19,20)(H3,21,22);1H
InChIKeyDCNQMIGNURSRAY-UHFFFAOYSA-N
XLogP3.57
TPSA128.67 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride?
The IUPAC name of 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride (CID 44531225) is 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride?
The canonical SMILES for 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2[nH]c(-c3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1.
What is the InChIKey of 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride?
The InChIKey is DCNQMIGNURSRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.ClH/c19-17(20)9-1-3-13-11(5-9)7-14(23-13)16-8-12-6-10(18(21)22)2-4-15(12)24-16;/h1-8,23H,(H3,19,20)(H3,21,22);1H.
What are the key properties of 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride?
2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide;hydrochloride is sourced from PubChem (CID 44531225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).