3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride

C18H18Cl2N4O — CID 11153113

IUPAC3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)cc1
InChIInChI=1S/C18H16N4O.2ClH/c19-17(20)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1H
InChIKeyDHDBPVSBEDRJGY-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.03
Rot. Bonds4

About 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride

3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride (PubChem CID 11153113) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
PubChem CID11153113
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)cc1
InChIInChI=1S/C18H16N4O.2ClH/c19-17(20)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1H
InChIKeyDHDBPVSBEDRJGY-UHFFFAOYSA-N
XLogP4.03
TPSA112.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.03
H-Bond Donors ≤ 54
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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Related Compounds

acetic acid;4-[5-(3-nitrophenyl)furan-2-yl]benzenecarboximidamide
CID 127027840
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
CID 134840621
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
5-phenylfuran-2-carboximidamide;hydrochloride
CID 24838257

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride?
The IUPAC name of 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride (CID 11153113) is 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)cc1.
What is the InChIKey of 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride?
The InChIKey is DHDBPVSBEDRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O.2ClH/c19-17(20)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1H.
What are the key properties of 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride?
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride has a molecular weight of 377.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 11153113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).