2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C28H30FN3O2 — CID 17007837

IUPAC2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccccc1OCCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C28H30FN3O2/c1-20(2)21-11-4-8-16-26(21)34-18-10-9-17-32-25-15-7-6-14-24(25)31-27(32)19-30-28(33)22-12-3-5-13-23(22)29/h3-8,11-16,20H,9-10,17-19H2,1-2H3,(H,30,33)
InChIKeyUQHJKJWIGNDGTQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP6.09
Rot. Bonds10

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

2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007837) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007837
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccccc1OCCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C28H30FN3O2/c1-20(2)21-11-4-8-16-26(21)34-18-10-9-17-32-25-15-7-6-14-24(25)31-27(32)19-30-28(33)22-12-3-5-13-23(22)29/h3-8,11-16,20H,9-10,17-19H2,1-2H3,(H,30,33)
InChIKeyUQHJKJWIGNDGTQ-UHFFFAOYSA-N
XLogP6.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 56.09
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-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007782
2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007807
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983062
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972273
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17007837) is 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is CC(C)c1ccccc1OCCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is UQHJKJWIGNDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-20(2)21-11-4-8-16-26(21)34-18-10-9-17-32-25-15-7-6-14-24(25)31-27(32)19-30-28(33)22-12-3-5-13-23(22)29/h3-8,11-16,20H,9-10,17-19H2,1-2H3,(H,30,33).
What are the key properties of 2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 6.09, 10 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-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).