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

C140H116Cl3N21O6 — CID 161023282

IUPAC6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol
SMILESC.COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.O=COc1ccc2nc(-c3ccccc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1.OCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11ClN2O.2C14H11ClN2.C14H10N2O2.C14H12N2O.4C14H12N2.C13H9N3O2.CH4/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;17-9-10-6-7-12-13(8-10)16-14(15-12)11-4-2-1-3-5-11;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;2*1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h2-8H,1H3,(H,16,17);2*2-8H,1H3,(H,16,17);1-9H,(H,15,16);1-8,17H,9H2,(H,15,16);4*2-9H,1H3,(H,15,16);1-8H,(H,14,15);1H4
InChIKeyTYQRELZXKPSJEF-UHFFFAOYSA-N
MW2294.97 g/mol
LogP35.69
Rot. Bonds15

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

6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol (PubChem CID 161023282) has the molecular formula C140H116Cl3N21O6 and a molecular weight of 2294.97 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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol
PubChem CID161023282
Molecular FormulaC140H116Cl3N21O6
Molecular Weight2294.97 g/mol
Exact Mass2291.85
IUPAC Name6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol
SMILESC.COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.O=COc1ccc2nc(-c3ccccc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1.OCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11ClN2O.2C14H11ClN2.C14H10N2O2.C14H12N2O.4C14H12N2.C13H9N3O2.CH4/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;17-9-10-6-7-12-13(8-10)16-14(15-12)11-4-2-1-3-5-11;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;2*1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h2-8H,1H3,(H,16,17);2*2-8H,1H3,(H,16,17);1-9H,(H,15,16);1-8,17H,9H2,(H,15,16);4*2-9H,1H3,(H,15,16);1-8H,(H,14,15);1H4
InChIKeyTYQRELZXKPSJEF-UHFFFAOYSA-N
XLogP35.69
TPSA385.70 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.97
LogP ≤ 535.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol?
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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol (CID 161023282) is 6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol.
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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol?
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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol is C.COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.O=COc1ccc2nc(-c3ccccc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1.OCc1ccc2nc(-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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol?
The InChIKey is TYQRELZXKPSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O.2C14H11ClN2.C14H10N2O2.C14H12N2O.4C14H12N2.C13H9N3O2.CH4/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;17-9-10-6-7-12-13(8-10)16-14(15-12)11-4-2-1-3-5-11;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;2*1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h2-8H,1H3,(H,16,17);2*2-8H,1H3,(H,16,17);1-9H,(H,15,16);1-8,17H,9H2,(H,15,16);4*2-9H,1H3,(H,15,16);1-8H,(H,14,15);1H4.
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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol?
6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole;6-chloro-2-(3-methylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylphenyl)-1H-benzimidazole;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol has a molecular weight of 2294.97 g/mol, XLogP of 35.69, 15 rotatable bonds, 11 hydrogen bond donors, and 16 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;methane;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)-1H-benzimidazole;bis(6-methyl-2-phenyl-1H-benzimidazole);6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl) formate;(2-phenyl-3H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 161023282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).