2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

C17H16Cl2N2O2 — CID 110535794

IUPAC2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1c(Cl)cc(-c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-8-5-12-13(6-9(8)2)21-17(20-12)10-7-11(18)16(23-4)14(19)15(10)22-3/h5-7H,1-4H3,(H,20,21)
InChIKeyPWLXIIVNCAPDMV-UHFFFAOYSA-N
MW351.23 g/mol
LogP5.17
Rot. Bonds3

About 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 110535794) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID110535794
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1c(Cl)cc(-c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-8-5-12-13(6-9(8)2)21-17(20-12)10-7-11(18)16(23-4)14(19)15(10)22-3/h5-7H,1-4H3,(H,20,21)
InChIKeyPWLXIIVNCAPDMV-UHFFFAOYSA-N
XLogP5.17
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (CID 110535794) is 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is COc1c(Cl)cc(-c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1Cl.
What is the InChIKey of 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is PWLXIIVNCAPDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-8-5-12-13(6-9(8)2)21-17(20-12)10-7-11(18)16(23-4)14(19)15(10)22-3/h5-7H,1-4H3,(H,20,21).
What are the key properties of 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 351.23 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 110535794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).