1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide

C17H15F2N3O2 — CID 3238792

IUPAC1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c1-24-7-6-20-17(23)11-2-5-16-15(8-11)21-10-22(16)12-3-4-13(18)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyNMSPBCSVUFJSGA-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.68
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide

1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide (PubChem CID 3238792) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide
PubChem CID3238792
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c1-24-7-6-20-17(23)11-2-5-16-15(8-11)21-10-22(16)12-3-4-13(18)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyNMSPBCSVUFJSGA-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide (CID 3238792) is 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide is COCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is NMSPBCSVUFJSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-24-7-6-20-17(23)11-2-5-16-15(8-11)21-10-22(16)12-3-4-13(18)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H,20,23).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3238792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).