6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide

C17H22FN3O2 — CID 71892495

IUPAC6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H22FN3O2/c1-11-4-2-3-5-15(11)23-7-6-19-17(22)13-8-12(18)9-14-16(13)21-10-20-14/h8-11,15H,2-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyWIVOIOLMJCSDFJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.03
Rot. Bonds5

About 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 71892495) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
PubChem CID71892495
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H22FN3O2/c1-11-4-2-3-5-15(11)23-7-6-19-17(22)13-8-12(18)9-14-16(13)21-10-20-14/h8-11,15H,2-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyWIVOIOLMJCSDFJ-UHFFFAOYSA-N
XLogP3.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42961801
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
CID 55849532
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95157228
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
4-bromo-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-1H-pyrazole-5-carboxamide
CID 95619711
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide (CID 71892495) is 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide is CC1CCCCC1OCCNC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is WIVOIOLMJCSDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11-4-2-3-5-15(11)23-7-6-19-17(22)13-8-12(18)9-14-16(13)21-10-20-14/h8-11,15H,2-7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71892495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).