6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate

C70H55Cl3N10O3 — CID 159911796

About 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate

6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate (PubChem CID 159911796) has the molecular formula C70H55Cl3N10O3 and a molecular weight of 1190.64 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate.

Molecular Properties

• Compound Name: 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate
• PubChem CID: 159911796
• Molecular Formula: C70H55Cl3N10O3
• Molecular Weight: 1190.64 g/mol
• Exact Mass: 1188.35
• IUPAC Name: 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate
• SMILES: COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.O=COc1ccc2nc(-c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C14H11ClN2O.2C14H11ClN2.C14H10N2O2.C14H12N2/c1-18-13-5-3-2-4-10(13)14-16-11-7-6-9(15)8-12(11)17-14;1-9-2-4-10(5-3-9)14-16-12-7-6-11(15)8-13(12)17-14;1-9-3-2-4-10(7-9)14-16-12-6-5-11(15)8-13(12)17-14;17-9-18-11-6-7-12-13(8-11)16-14(15-12)10-4-2-1-3-5-10;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-8H,1H3,(H,16,17);2*2-8H,1H3,(H,16,17);1-9H,(H,15,16);2-9H,1H3,(H,15,16)
• InChIKey: NXGQEIKYIMEHLY-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 178.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1190.64
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate?

The IUPAC name of 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate (CID 159911796) is 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate.

What is the SMILES notation for 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate?

The canonical SMILES for 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate is COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.O=COc1ccc2nc(-c3ccccc3)[nH]c2c1.

What is the InChIKey of 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate?

The InChIKey is NXGQEIKYIMEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O.2C14H11ClN2.C14H10N2O2.C14H12N2/c1-18-13-5-3-2-4-10(13)14-16-11-7-6-9(15)8-12(11)17-14;1-9-2-4-10(5-3-9)14-16-12-7-6-11(15)8-13(12)17-14;1-9-3-2-4-10(7-9)14-16-12-6-5-11(15)8-13(12)17-14;17-9-18-11-6-7-12-13(8-11)16-14(15-12)10-4-2-1-3-5-10;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-8H,1H3,(H,16,17);2*2-8H,1H3,(H,16,17);1-9H,(H,15,16);2-9H,1H3,(H,15,16).

What are the key properties of 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate?

6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate has a molecular weight of 1190.64 g/mol, XLogP of 18.58, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;6-methyl-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate is sourced from PubChem (CID 159911796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).