N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

C25H26N4O2 — CID 16966597

IUPACN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCCc1ccc(OCCCn2c(CNC(=O)c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N4O2/c1-2-19-11-13-20(14-12-19)31-17-7-16-29-23-10-4-3-8-21(23)28-24(29)18-27-25(30)22-9-5-6-15-26-22/h3-6,8-15H,2,7,16-18H2,1H3,(H,27,30)
InChIKeyGXUXHOQNUWBEQM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.39
Rot. Bonds9

About N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966597) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966597
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCCc1ccc(OCCCn2c(CNC(=O)c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N4O2/c1-2-19-11-13-20(14-12-19)31-17-7-16-29-23-10-4-3-8-21(23)28-24(29)18-27-25(30)22-9-5-6-15-26-22/h3-6,8-15H,2,7,16-18H2,1H3,(H,27,30)
InChIKeyGXUXHOQNUWBEQM-UHFFFAOYSA-N
XLogP4.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.39
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-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966576
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966248
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966597) is N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is CCc1ccc(OCCCn2c(CNC(=O)c3ccccn3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is GXUXHOQNUWBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-19-11-13-20(14-12-19)31-17-7-16-29-23-10-4-3-8-21(23)28-24(29)18-27-25(30)22-9-5-6-15-26-22/h3-6,8-15H,2,7,16-18H2,1H3,(H,27,30).
What are the key properties of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).