6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide

C18H18F2N4O2 — CID 171820267

IUPAC6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)cc3c2ncn3C(F)F)c1C
InChIInChI=1S/C18H18F2N4O2/c1-8-4-5-12(26-3)9(2)13(8)14-15(21)10(17(22)25)6-11-16(14)23-7-24(11)18(19)20/h4-7,18H,21H2,1-3H3,(H2,22,25)
InChIKeyJLGYRUVLYVVTKB-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.40
Rot. Bonds4

About 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide

6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide (PubChem CID 171820267) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
PubChem CID171820267
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)cc3c2ncn3C(F)F)c1C
InChIInChI=1S/C18H18F2N4O2/c1-8-4-5-12(26-3)9(2)13(8)14-15(21)10(17(22)25)6-11-16(14)23-7-24(11)18(19)20/h4-7,18H,21H2,1-3H3,(H2,22,25)
InChIKeyJLGYRUVLYVVTKB-UHFFFAOYSA-N
XLogP3.40
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide (CID 171820267) is 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide is COc1ccc(C)c(-c2c(N)c(C(N)=O)cc3c2ncn3C(F)F)c1C.
What is the InChIKey of 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide?
The InChIKey is JLGYRUVLYVVTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-8-4-5-12(26-3)9(2)13(8)14-15(21)10(17(22)25)6-11-16(14)23-7-24(11)18(19)20/h4-7,18H,21H2,1-3H3,(H2,22,25).
What are the key properties of 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide?
6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 171820267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).