4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

C26H26FN3O3 — CID 16984458

IUPAC4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccccc1OCCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C26H26FN3O3/c1-32-23-9-4-5-10-24(23)33-18-17-30-22-8-3-2-7-21(22)29-25(30)11-6-16-28-26(31)19-12-14-20(27)15-13-19/h2-5,7-10,12-15H,6,11,16-18H2,1H3,(H,28,31)
InChIKeyOOZIQIWBGGCIIV-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.63
Rot. Bonds10

About 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984458) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16984458
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccccc1OCCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C26H26FN3O3/c1-32-23-9-4-5-10-24(23)33-18-17-30-22-8-3-2-7-21(22)29-25(30)11-6-16-28-26(31)19-12-14-20(27)15-13-19/h2-5,7-10,12-15H,6,11,16-18H2,1H3,(H,28,31)
InChIKeyOOZIQIWBGGCIIV-UHFFFAOYSA-N
XLogP4.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966070
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
4-fluoro-N-[3-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984514
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
4-fluoro-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984484
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983843
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965962
4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991286

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16984458) is 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is COc1ccccc1OCCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is OOZIQIWBGGCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-32-23-9-4-5-10-24(23)33-18-17-30-22-8-3-2-7-21(22)29-25(30)11-6-16-28-26(31)19-12-14-20(27)15-13-19/h2-5,7-10,12-15H,6,11,16-18H2,1H3,(H,28,31).
What are the key properties of 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).