7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide

C11H12FN3O3 — CID 154071676

IUPAC7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2c(F)cc(C(=O)NOCCO)cc21
InChIInChI=1S/C11H12FN3O3/c1-15-6-13-10-8(12)4-7(5-9(10)15)11(17)14-18-3-2-16/h4-6,16H,2-3H2,1H3,(H,14,17)
InChIKeyZASPDCHDEWDRLZ-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.37
Rot. Bonds4

About 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide

7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide (PubChem CID 154071676) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
PubChem CID154071676
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2c(F)cc(C(=O)NOCCO)cc21
InChIInChI=1S/C11H12FN3O3/c1-15-6-13-10-8(12)4-7(5-9(10)15)11(17)14-18-3-2-16/h4-6,16H,2-3H2,1H3,(H,14,17)
InChIKeyZASPDCHDEWDRLZ-UHFFFAOYSA-N
XLogP0.37
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide (CID 154071676) is 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide is Cn1cnc2c(F)cc(C(=O)NOCCO)cc21.
What is the InChIKey of 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is ZASPDCHDEWDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-15-6-13-10-8(12)4-7(5-9(10)15)11(17)14-18-3-2-16/h4-6,16H,2-3H2,1H3,(H,14,17).
What are the key properties of 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide?
7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 253.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 154071676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).