5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile

C90H75Br2N21O17Sn — CID 172938726

About 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile

5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 172938726) has the molecular formula C90H75Br2N21O17Sn and a molecular weight of 2001.24 g/mol. Its IUPAC name is 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

• Compound Name: 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
• PubChem CID: 172938726
• Molecular Formula: C90H75Br2N21O17Sn
• Molecular Weight: 2001.24 g/mol
• Exact Mass: 1999.30
• IUPAC Name: 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
• SMILES: CCOC(OCC)c1ccc([Sn](C)(C)C)o1.N#Cc1ccc(N)c(N)c1.N/C(=N/O)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N\O)o4)o3)[nH]c2c1.O=Cc1ccc(Br)o1.[C-]#[N+]c1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)o2)o1.[C-]#[N+]c1ccc(-c2ccc(C=O)o2)o1.[C-]#[N+]c1ccc(Br)o1.[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])o4)o3)[nH]c2c1
• InChI: InChI=1S/C17H14N6O4.C17H14N6O2.C17H8N4O2.C10H5NO3.C9H13O3.C7H7N3.C5H2BrNO.C5H3BrO2.3CH3.Sn/c18-15(22-24)8-1-2-9-10(7-8)21-17(20-9)14-6-4-12(27-14)11-3-5-13(26-11)16(19)23-25;18-15(19)8-1-2-9-10(7-8)23-17(22-9)14-6-4-12(25-14)11-3-5-13(24-11)16(20)21;1-19-16-7-6-14(23-16)13-4-5-15(22-13)17-20-11-3-2-10(9-18)8-12(11)21-17;1-11-10-5-4-9(14-10)8-3-2-7(6-12)13-8;1-3-10-9(11-4-2)8-6-5-7-12-8;8-4-5-1-2-6(9)7(10)3-5;1-7-5-3-2-4(6)8-5;6-5-2-1-4(3-7)8-5;;;;/h1-7,24-25H,(H2,18,22)(H2,19,23)(H,20,21);1-7H,(H3,18,19)(H3,20,21)(H,22,23);2-8H,(H,20,21);2-6H;5-6,9H,3-4H2,1-2H3;1-3H,9-10H2;2-3H;1-3H;3*1H3
• InChIKey: HCPNBACDGVGRPP-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 612.84 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.24
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?

The IUPAC name of 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile (CID 172938726) is 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile.

What is the SMILES notation for 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?

The canonical SMILES for 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile is CCOC(OCC)c1ccc([Sn](C)(C)C)o1.N#Cc1ccc(N)c(N)c1.N/C(=N/O)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N\O)o4)o3)[nH]c2c1.O=Cc1ccc(Br)o1.[C-]#[N+]c1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)o2)o1.[C-]#[N+]c1ccc(-c2ccc(C=O)o2)o1.[C-]#[N+]c1ccc(Br)o1.[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])o4)o3)[nH]c2c1.

What is the InChIKey of 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?

The InChIKey is HCPNBACDGVGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4.C17H14N6O2.C17H8N4O2.C10H5NO3.C9H13O3.C7H7N3.C5H2BrNO.C5H3BrO2.3CH3.Sn/c18-15(22-24)8-1-2-9-10(7-8)21-17(20-9)14-6-4-12(27-14)11-3-5-13(26-11)16(19)23-25;18-15(19)8-1-2-9-10(7-8)23-17(22-9)14-6-4-12(25-14)11-3-5-13(24-11)16(20)21;1-19-16-7-6-14(23-16)13-4-5-15(22-13)17-20-11-3-2-10(9-18)8-12(11)21-17;1-11-10-5-4-9(14-10)8-3-2-7(6-12)13-8;1-3-10-9(11-4-2)8-6-5-7-12-8;8-4-5-1-2-6(9)7(10)3-5;1-7-5-3-2-4(6)8-5;6-5-2-1-4(3-7)8-5;;;;/h1-7,24-25H,(H2,18,22)(H2,19,23)(H,20,21);1-7H,(H3,18,19)(H3,20,21)(H,22,23);2-8H,(H,20,21);2-6H;5-6,9H,3-4H2,1-2H3;1-3H,9-10H2;2-3H;1-3H;3*1H3;.

What are the key properties of 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?

5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 2001.24 g/mol, XLogP of 20.40, 19 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromofuran-2-carbaldehyde;2-bromo-5-isocyanofuran;2-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide;3,4-diaminobenzonitrile;[5-(diethoxymethyl)furan-2-yl]-trimethylstannane;N'-hydroxy-2-[5-[5-[(E)-N'-hydroxycarbamimidoyl]furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;5-(5-isocyanofuran-2-yl)furan-2-carbaldehyde;2-[5-(5-isocyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 172938726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).