2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide

C35H38Br2N10O5 — CID 131986658

About 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide

2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide (PubChem CID 131986658) has the molecular formula C35H38Br2N10O5 and a molecular weight of 838.56 g/mol. Its IUPAC name is 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide.

Molecular Properties

• Compound Name: 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide
• PubChem CID: 131986658
• Molecular Formula: C35H38Br2N10O5
• Molecular Weight: 838.56 g/mol
• Exact Mass: 836.14
• IUPAC Name: 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide
• SMILES: Br.Br.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(N)nc2cc(C(N)=O)cc(OCc3ccc(OC)cc3)c21
• InChI: InChI=1S/C35H36N10O5.2BrH/c1-4-45-28(15-20(2)42-45)33(48)41-35-40-25-16-22(31(36)46)9-12-27(25)43(35)13-5-6-14-44-30-26(39-34(44)38)17-23(32(37)47)18-29(30)50-19-21-7-10-24(49-3)11-8-21;;/h5-12,15-18H,4,13-14,19H2,1-3H3,(H2,36,46)(H2,37,47)(H2,38,39)(H,40,41,48);2*1H/b6-5+
• InChIKey: CZKGGRQQRDTBLK-TXOOBNKBSA-N
• XLogP: 4.94
• TPSA: 213.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.56
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide?

The IUPAC name of 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide (CID 131986658) is 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide.

What is the SMILES notation for 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide?

The canonical SMILES for 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide is Br.Br.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(N)nc2cc(C(N)=O)cc(OCc3ccc(OC)cc3)c21.

What is the InChIKey of 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide?

The InChIKey is CZKGGRQQRDTBLK-TXOOBNKBSA-N. The full InChI is InChI=1S/C35H36N10O5.2BrH/c1-4-45-28(15-20(2)42-45)33(48)41-35-40-25-16-22(31(36)46)9-12-27(25)43(35)13-5-6-14-44-30-26(39-34(44)38)17-23(32(37)47)18-29(30)50-19-21-7-10-24(49-3)11-8-21;;/h5-12,15-18H,4,13-14,19H2,1-3H3,(H2,36,46)(H2,37,47)(H2,38,39)(H,40,41,48);2*1H/b6-5+;;.

What are the key properties of 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide?

2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide has a molecular weight of 838.56 g/mol, XLogP of 4.94, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide is sourced from PubChem (CID 131986658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).