2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide

C22H20N8O3 — CID 90832108

About 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide

2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 90832108) has the molecular formula C22H20N8O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
• PubChem CID: 90832108
• Molecular Formula: C22H20N8O3
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.17
• IUPAC Name: 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
• SMILES: NCC(=O)Nc1ccc2nc(-c3ccc(-c4nc5ccc(NC(=O)CN)cc5[nH]4)o3)[nH]c2c1
• InChI: InChI=1S/C22H20N8O3/c23-9-19(31)25-11-1-3-13-15(7-11)29-21(27-13)17-5-6-18(33-17)22-28-14-4-2-12(8-16(14)30-22)26-20(32)10-24/h1-8H,9-10,23-24H2,(H,25,31)(H,26,32)(H,27,29)(H,28,30)
• InChIKey: CSPQRRIWICYKDP-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 180.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide?

The IUPAC name of 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide (CID 90832108) is 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide?

The canonical SMILES for 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide is NCC(=O)Nc1ccc2nc(-c3ccc(-c4nc5ccc(NC(=O)CN)cc5[nH]4)o3)[nH]c2c1.

What is the InChIKey of 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide?

The InChIKey is CSPQRRIWICYKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O3/c23-9-19(31)25-11-1-3-13-15(7-11)29-21(27-13)17-5-6-18(33-17)22-28-14-4-2-12(8-16(14)30-22)26-20(32)10-24/h1-8H,9-10,23-24H2,(H,25,31)(H,26,32)(H,27,29)(H,28,30).

What are the key properties of 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide?

2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 444.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 90832108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).