2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole

C15H12Cl2N2 — CID 56773183

IUPAC2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)10-3-4-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyIRIJWAWBUODBDR-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.15
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole

2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 56773183) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID56773183
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)10-3-4-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyIRIJWAWBUODBDR-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole (CID 56773183) is 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is IRIJWAWBUODBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-8-5-9(2)14-13(6-8)18-15(19-14)10-3-4-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole?
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 56773183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).