N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

C25H26N4O3 — CID 16964156

IUPACN-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1cccc(OCCCn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N4O3/c1-28(25(30)19-8-6-13-26-17-19)18-24-27-22-11-3-4-12-23(22)29(24)14-7-15-32-21-10-5-9-20(16-21)31-2/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3
InChIKeyPEWMJOFOQFRKIV-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.18
Rot. Bonds9

About N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 16964156) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID16964156
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1cccc(OCCCn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N4O3/c1-28(25(30)19-8-6-13-26-17-19)18-24-27-22-11-3-4-12-23(22)29(24)14-7-15-32-21-10-5-9-20(16-21)31-2/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3
InChIKeyPEWMJOFOQFRKIV-UHFFFAOYSA-N
XLogP4.18
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.18
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-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123
N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 23609980
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (CID 16964156) is N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is COc1cccc(OCCCn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1.
What is the InChIKey of N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is PEWMJOFOQFRKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-28(25(30)19-8-6-13-26-17-19)18-24-27-22-11-3-4-12-23(22)29(24)14-7-15-32-21-10-5-9-20(16-21)31-2/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3.
What are the key properties of N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 16964156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).