2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C26H26FN3O2 — CID 17007843

IUPAC2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)c1
InChIInChI=1S/C26H26FN3O2/c1-19-9-8-10-20(17-19)32-16-7-6-15-30-24-14-5-4-13-23(24)29-25(30)18-28-26(31)21-11-2-3-12-22(21)27/h2-5,8-14,17H,6-7,15-16,18H2,1H3,(H,28,31)
InChIKeyCXLCXGPSHZHAPI-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.27
Rot. Bonds9

About 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007843) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007843
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)c1
InChIInChI=1S/C26H26FN3O2/c1-19-9-8-10-20(17-19)32-16-7-6-15-30-24-14-5-4-13-23(24)29-25(30)18-28-26(31)21-11-2-3-12-22(21)27/h2-5,8-14,17H,6-7,15-16,18H2,1H3,(H,28,31)
InChIKeyCXLCXGPSHZHAPI-UHFFFAOYSA-N
XLogP5.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007807
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007837
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17007843) is 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(OCCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)c1.
What is the InChIKey of 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is CXLCXGPSHZHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-19-9-8-10-20(17-19)32-16-7-6-15-30-24-14-5-4-13-23(24)29-25(30)18-28-26(31)21-11-2-3-12-22(21)27/h2-5,8-14,17H,6-7,15-16,18H2,1H3,(H,28,31).
What are the key properties of 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 431.51 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).