N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

C17H22FN3O3 — CID 125175720

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@H]1CCCO1)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H22FN3O3/c18-12-5-6-14-15(9-12)21-16(20-14)4-1-7-19-17(22)11-23-10-13-3-2-8-24-13/h5-6,9,13H,1-4,7-8,10-11H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyLTONWCUHMNRUTQ-CYBMUJFWSA-N
MW335.38 g/mol
LogP1.95
Rot. Bonds8

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (PubChem CID 125175720) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
PubChem CID125175720
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@H]1CCCO1)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H22FN3O3/c18-12-5-6-14-15(9-12)21-16(20-14)4-1-7-19-17(22)11-23-10-13-3-2-8-24-13/h5-6,9,13H,1-4,7-8,10-11H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyLTONWCUHMNRUTQ-CYBMUJFWSA-N
XLogP1.95
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842488
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
(2S,3S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399604
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408032
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (CID 125175720) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is O=C(COC[C@H]1CCCO1)NCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is LTONWCUHMNRUTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-12-5-6-14-15(9-12)21-16(20-14)4-1-7-19-17(22)11-23-10-13-3-2-8-24-13/h5-6,9,13H,1-4,7-8,10-11H2,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 335.38 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 125175720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).