benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate

C69H56Cl4N14O10 — CID 158122135

About benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate

benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate (PubChem CID 158122135) has the molecular formula C69H56Cl4N14O10 and a molecular weight of 1383.11 g/mol. Its IUPAC name is benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate.

Molecular Properties

• Compound Name: benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate
• PubChem CID: 158122135
• Molecular Formula: C69H56Cl4N14O10
• Molecular Weight: 1383.11 g/mol
• Exact Mass: 1380.31
• IUPAC Name: benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate
• SMILES: CCOC(=O)c1ccc(O)cc1.CCOC(=O)c1ccc(Oc2nccnc2Cl)cc1.Cc1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.Clc1nccnc1Cl.Nc1ccccc1N.O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H14N4O2.C18H11ClN4O2.C13H11ClN2O3.C9H10O3.C6H8N2.C4H2Cl2N2/c1-12-19(21-11-10-20-12)25-14-8-6-13(7-9-14)17(24)18-22-15-4-2-3-5-16(15)23-18;19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17;1-2-18-13(17)9-3-5-10(6-4-9)19-12-11(14)15-7-8-16-12;1-2-12-9(11)7-3-5-8(10)6-4-7;7-5-3-1-2-4-6(5)8;5-3-4(6)8-2-1-7-3/h2-11H,1H3,(H,22,23);1-10H,(H,22,23);3-8H,2H2,1H3;3-6,10H,2H2,1H3;1-4H,7-8H2;1-2H
• InChIKey: FRSRGFSTVLOPAM-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 347.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.11
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate?

The IUPAC name of benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate (CID 158122135) is benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate.

What is the SMILES notation for benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate?

The canonical SMILES for benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate is CCOC(=O)c1ccc(O)cc1.CCOC(=O)c1ccc(Oc2nccnc2Cl)cc1.Cc1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.Clc1nccnc1Cl.Nc1ccccc1N.O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1.

What is the InChIKey of benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate?

The InChIKey is FRSRGFSTVLOPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C18H11ClN4O2.C13H11ClN2O3.C9H10O3.C6H8N2.C4H2Cl2N2/c1-12-19(21-11-10-20-12)25-14-8-6-13(7-9-14)17(24)18-22-15-4-2-3-5-16(15)23-18;19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17;1-2-18-13(17)9-3-5-10(6-4-9)19-12-11(14)15-7-8-16-12;1-2-12-9(11)7-3-5-8(10)6-4-7;7-5-3-1-2-4-6(5)8;5-3-4(6)8-2-1-7-3/h2-11H,1H3,(H,22,23);1-10H,(H,22,23);3-8H,2H2,1H3;3-6,10H,2H2,1H3;1-4H,7-8H2;1-2H.

What are the key properties of benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate?

benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate has a molecular weight of 1383.11 g/mol, XLogP of 15.02, 14 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-(3-methylpyrazin-2-yl)oxyphenyl]methanone;2,3-dichloropyrazine;ethyl 4-(3-chloropyrazin-2-yl)oxybenzoate;ethyl 4-hydroxybenzoate is sourced from PubChem (CID 158122135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).