N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide

C26H28N4O2 — CID 16965643

IUPACN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCCCn2c(CNC(=O)c3ccncc3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O2/c1-19-9-10-22(17-20(19)2)32-16-6-5-15-30-24-8-4-3-7-23(24)29-25(30)18-28-26(31)21-11-13-27-14-12-21/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,28,31)
InChIKeyXFXMMAQCDOQKSQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.84
Rot. Bonds9

About N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide

N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 16965643) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID16965643
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCCCn2c(CNC(=O)c3ccncc3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O2/c1-19-9-10-22(17-20(19)2)32-16-6-5-15-30-24-8-4-3-7-23(24)29-25(30)18-28-26(31)21-11-13-27-14-12-21/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,28,31)
InChIKeyXFXMMAQCDOQKSQ-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.84
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-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965650
N-[2-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965970
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965481
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991978
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966076
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (CID 16965643) is N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is Cc1ccc(OCCCCn2c(CNC(=O)c3ccncc3)nc3ccccc32)cc1C.
What is the InChIKey of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is XFXMMAQCDOQKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-9-10-22(17-20(19)2)32-16-6-5-15-30-24-8-4-3-7-23(24)29-25(30)18-28-26(31)21-11-13-27-14-12-21/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,28,31).
What are the key properties of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).