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

C26H26FN3O2 — CID 17007782

IUPAC2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccccc1OCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C26H26FN3O2/c1-18(2)19-9-4-8-14-24(19)32-16-15-30-23-13-7-6-12-22(23)29-25(30)17-28-26(31)20-10-3-5-11-21(20)27/h3-14,18H,15-17H2,1-2H3,(H,28,31)
InChIKeyVROBUWNMMYLDPN-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.31
Rot. Bonds8

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

2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007782) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007782
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccccc1OCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C26H26FN3O2/c1-18(2)19-9-4-8-14-24(19)32-16-15-30-23-13-7-6-12-22(23)29-25(30)17-28-26(31)20-10-3-5-11-21(20)27/h3-14,18H,15-17H2,1-2H3,(H,28,31)
InChIKeyVROBUWNMMYLDPN-UHFFFAOYSA-N
XLogP5.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007837
2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007807
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
2-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972409
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-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983062
2-(2-chlorophenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979284
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17007782) is 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is CC(C)c1ccccc1OCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is VROBUWNMMYLDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-18(2)19-9-4-8-14-24(19)32-16-15-30-23-13-7-6-12-22(23)29-25(30)17-28-26(31)20-10-3-5-11-21(20)27/h3-14,18H,15-17H2,1-2H3,(H,28,31).
What are the key properties of 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 431.51 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).