5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride

C20H19Cl2N5O — CID 136609912

IUPAC5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2ccc3cc(-c4ccc(/C(N)=N/[H])o4)[nH]c3c2)cc1
InChIInChI=1S/C20H17N5O.2ClH/c21-19(22)12-3-1-11(2-4-12)13-5-6-14-10-16(25-15(14)9-13)17-7-8-18(26-17)20(23)24;;/h1-10,25H,(H3,21,22)(H3,23,24);2*1H
InChIKeyCWYKUMZMQZESCM-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.51
Rot. Bonds4

About 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride

5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride (PubChem CID 136609912) has the molecular formula C20H19Cl2N5O and a molecular weight of 416.31 g/mol. Its IUPAC name is 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride
PubChem CID136609912
Molecular FormulaC20H19Cl2N5O
Molecular Weight416.31 g/mol
Exact Mass415.10
IUPAC Name5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2ccc3cc(-c4ccc(/C(N)=N/[H])o4)[nH]c3c2)cc1
InChIInChI=1S/C20H17N5O.2ClH/c21-19(22)12-3-1-11(2-4-12)13-5-6-14-10-16(25-15(14)9-13)17-7-8-18(26-17)20(23)24;;/h1-10,25H,(H3,21,22)(H3,23,24);2*1H
InChIKeyCWYKUMZMQZESCM-UHFFFAOYSA-N
XLogP4.51
TPSA128.67 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.51
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 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride?
The IUPAC name of 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride (CID 136609912) is 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride.
What is the SMILES notation for 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride?
The canonical SMILES for 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(-c2ccc3cc(-c4ccc(/C(N)=N/[H])o4)[nH]c3c2)cc1.
What is the InChIKey of 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride?
The InChIKey is CWYKUMZMQZESCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.2ClH/c21-19(22)12-3-1-11(2-4-12)13-5-6-14-10-16(25-15(14)9-13)17-7-8-18(26-17)20(23)24;;/h1-10,25H,(H3,21,22)(H3,23,24);2*1H.
What are the key properties of 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride?
5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride has a molecular weight of 416.31 g/mol, XLogP of 4.51, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]furan-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 136609912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).