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

C25H26N4O3 — CID 16966070

IUPACN-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-31-22-9-4-5-10-23(22)32-18-17-29-21-8-3-2-7-20(21)28-24(29)11-6-14-27-25(30)19-12-15-26-16-13-19/h2-5,7-10,12-13,15-16H,6,11,14,17-18H2,1H3,(H,27,30)
InChIKeyKMYQOPRHCCFUSA-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.88
Rot. Bonds10

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

N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide (PubChem CID 16966070) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
PubChem CID16966070
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-31-22-9-4-5-10-23(22)32-18-17-29-21-8-3-2-7-20(21)28-24(29)11-6-14-27-25(30)19-12-15-26-16-13-19/h2-5,7-10,12-13,15-16H,6,11,14,17-18H2,1H3,(H,27,30)
InChIKeyKMYQOPRHCCFUSA-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-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965962
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984458
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
3,4,5-trimethoxy-N-[5-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991134
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983843

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide (CID 16966070) is N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide is COc1ccccc1OCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
The InChIKey is KMYQOPRHCCFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-22-9-4-5-10-23(22)32-18-17-29-21-8-3-2-7-20(21)28-24(29)11-6-14-27-25(30)19-12-15-26-16-13-19/h2-5,7-10,12-13,15-16H,6,11,14,17-18H2,1H3,(H,27,30).
What are the key properties of N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide?
N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-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-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 16966070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).