2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

C15H18FN3O4 — CID 141214965

IUPAC2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NOCCO)c1ccc2nc(F)n(CC3CCCO3)c2c1
InChIInChI=1S/C15H18FN3O4/c16-15-17-12-4-3-10(14(21)18-23-7-5-20)8-13(12)19(15)9-11-2-1-6-22-11/h3-4,8,11,20H,1-2,5-7,9H2,(H,18,21)
InChIKeyHBUCLARHDWPHPB-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.01
Rot. Bonds6

About 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 141214965) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID141214965
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NOCCO)c1ccc2nc(F)n(CC3CCCO3)c2c1
InChIInChI=1S/C15H18FN3O4/c16-15-17-12-4-3-10(14(21)18-23-7-5-20)8-13(12)19(15)9-11-2-1-6-22-11/h3-4,8,11,20H,1-2,5-7,9H2,(H,18,21)
InChIKeyHBUCLARHDWPHPB-UHFFFAOYSA-N
XLogP1.01
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(hydroxymethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 175517363
methyl 2-benzylsulfanyl-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxylate
CID 156856893
N-(2,3-dihydroxypropoxy)-2-fluoro-3-methylbenzimidazole-5-carboxamide
CID 123294693
methyl 2-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methylamino]acetate
CID 170270531
1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
CID 178171699
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[2,3,6-trifluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]benzimidazole-5-carboxylate
CID 167438664
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 164601697
methyl 3-(oxetan-2-ylmethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 175485964
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791226

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (CID 141214965) is 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is O=C(NOCCO)c1ccc2nc(F)n(CC3CCCO3)c2c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is HBUCLARHDWPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c16-15-17-12-4-3-10(14(21)18-23-7-5-20)8-13(12)19(15)9-11-2-1-6-22-11/h3-4,8,11,20H,1-2,5-7,9H2,(H,18,21).
What are the key properties of 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethoxy)-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 141214965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).