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

C26H28N4O2 — CID 16966276

IUPACN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O2/c1-19-12-13-21(18-20(19)2)32-17-16-30-24-10-4-3-8-22(24)29-25(30)11-7-15-28-26(31)23-9-5-6-14-27-23/h3-6,8-10,12-14,18H,7,11,15-17H2,1-2H3,(H,28,31)
InChIKeyKPUPYSREBWMLPD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.49
Rot. Bonds9

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

N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide (PubChem CID 16966276) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
PubChem CID16966276
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O2/c1-19-12-13-21(18-20(19)2)32-17-16-30-24-10-4-3-8-22(24)29-25(30)11-7-15-28-26(31)23-9-5-6-14-27-23/h3-6,8-10,12-14,18H,7,11,15-17H2,1-2H3,(H,28,31)
InChIKeyKPUPYSREBWMLPD-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966240
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966248
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985123
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982436
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
3-chloro-N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990505
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966076
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982406
N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide (CID 16966276) is N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide is Cc1ccc(OCCn2c(CCCNC(=O)c3ccccn3)nc3ccccc32)cc1C.
What is the InChIKey of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The InChIKey is KPUPYSREBWMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-12-13-21(18-20(19)2)32-17-16-30-24-10-4-3-8-22(24)29-25(30)11-7-15-28-26(31)23-9-5-6-14-27-23/h3-6,8-10,12-14,18H,7,11,15-17H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).