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

C25H26N4O3 — CID 16964463

IUPACN-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N4O3/c1-31-20-10-12-21(13-11-20)32-17-16-29-23-8-3-2-7-22(23)28-24(29)9-5-15-27-25(30)19-6-4-14-26-18-19/h2-4,6-8,10-14,18H,5,9,15-17H2,1H3,(H,27,30)
InChIKeyKHIFICLRVPYUAS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.88
Rot. Bonds10

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

N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964463) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
PubChem CID16964463
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N4O3/c1-31-20-10-12-21(13-11-20)32-17-16-29-23-8-3-2-7-22(23)28-24(29)9-5-15-27-25(30)19-6-4-14-26-18-19/h2-4,6-8,10-14,18H,5,9,15-17H2,1H3,(H,27,30)
InChIKeyKHIFICLRVPYUAS-UHFFFAOYSA-N
XLogP3.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964332
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964463) is N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is COc1ccc(OCCn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
The InChIKey is KHIFICLRVPYUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-20-10-12-21(13-11-20)32-17-16-29-23-8-3-2-7-22(23)28-24(29)9-5-15-27-25(30)19-6-4-14-26-18-19/h2-4,6-8,10-14,18H,5,9,15-17H2,1H3,(H,27,30).
What are the key properties of N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).