2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

C19H16N6O2 — CID 164620111

IUPAC2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4[nH]3)o2)c(O)c1
InChIInChI=1S/C19H16N6O2/c20-17(21)9-2-4-12-13(7-9)25-19(24-12)16-6-5-15(27-16)11-3-1-10(18(22)23)8-14(11)26/h1-8,26H,(H3,20,21)(H3,22,23)(H,24,25)
InChIKeyMXFBMRYJJGEAOD-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.76
Rot. Bonds4

About 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 164620111) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID164620111
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4[nH]3)o2)c(O)c1
InChIInChI=1S/C19H16N6O2/c20-17(21)9-2-4-12-13(7-9)25-19(24-12)16-6-5-15(27-16)11-3-1-10(18(22)23)8-14(11)26/h1-8,26H,(H3,20,21)(H3,22,23)(H,24,25)
InChIKeyMXFBMRYJJGEAOD-UHFFFAOYSA-N
XLogP2.76
TPSA161.79 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 52.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (CID 164620111) is 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4[nH]3)o2)c(O)c1.
What is the InChIKey of 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is MXFBMRYJJGEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-17(21)9-2-4-12-13(7-9)25-19(24-12)16-6-5-15(27-16)11-3-1-10(18(22)23)8-14(11)26/h1-8,26H,(H3,20,21)(H3,22,23)(H,24,25).
What are the key properties of 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 360.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 164620111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).