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

C26H28N4O3 — CID 16965962

IUPACN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-32-23-10-4-5-11-24(23)33-19-7-6-18-30-22-9-3-2-8-21(22)29-25(30)14-17-28-26(31)20-12-15-27-16-13-20/h2-5,8-13,15-16H,6-7,14,17-19H2,1H3,(H,28,31)
InChIKeyFZUOBYNPJSQCPP-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.27
Rot. Bonds11

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

N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965962) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965962
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-32-23-10-4-5-11-24(23)33-19-7-6-18-30-22-9-3-2-8-21(22)29-25(30)14-17-28-26(31)20-12-15-27-16-13-20/h2-5,8-13,15-16H,6-7,14,17-19H2,1H3,(H,28,31)
InChIKeyFZUOBYNPJSQCPP-UHFFFAOYSA-N
XLogP4.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.27
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-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966070
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965931
N-[2-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965958
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984458
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965962) is N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is COc1ccccc1OCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is FZUOBYNPJSQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-23-10-4-5-11-24(23)33-19-7-6-18-30-22-9-3-2-8-21(22)29-25(30)14-17-28-26(31)20-12-15-27-16-13-20/h2-5,8-13,15-16H,6-7,14,17-19H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).