N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide

C26H28N4O3 — CID 16966944

IUPACN-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(OCCCCn2c(CN(C)C(=O)c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N4O3/c1-29(26(31)23-10-5-6-16-27-23)19-25-28-22-9-3-4-11-24(22)30(25)17-7-8-18-33-21-14-12-20(32-2)13-15-21/h3-6,9-16H,7-8,17-19H2,1-2H3
InChIKeyWRYKGUFPOLPVCO-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.57
Rot. Bonds10

About N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide

N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 16966944) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID16966944
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(OCCCCn2c(CN(C)C(=O)c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N4O3/c1-29(26(31)23-10-5-6-16-27-23)19-25-28-22-9-3-4-11-24(22)30(25)17-7-8-18-33-21-14-12-20(32-2)13-15-21/h3-6,9-16H,7-8,17-19H2,1-2H3
InChIKeyWRYKGUFPOLPVCO-UHFFFAOYSA-N
XLogP4.57
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 23609980
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966843
N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966869
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide (CID 16966944) is N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide is COc1ccc(OCCCCn2c(CN(C)C(=O)c3ccccn3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is WRYKGUFPOLPVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-29(26(31)23-10-5-6-16-27-23)19-25-28-22-9-3-4-11-24(22)30(25)17-7-8-18-33-21-14-12-20(32-2)13-15-21/h3-6,9-16H,7-8,17-19H2,1-2H3.
What are the key properties of N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 16966944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).