N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide

C25H26N4O2 — CID 16966248

IUPACN-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1)c1ccccn1
InChIInChI=1S/C25H26N4O2/c30-25(22-13-6-7-16-26-22)27-17-8-15-24-28-21-12-4-5-14-23(21)29(24)18-9-19-31-20-10-2-1-3-11-20/h1-7,10-14,16H,8-9,15,17-19H2,(H,27,30)
InChIKeyWRJNWWRWFCMYCZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.26
Rot. Bonds10

About N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide

N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide (PubChem CID 16966248) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
PubChem CID16966248
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1)c1ccccn1
InChIInChI=1S/C25H26N4O2/c30-25(22-13-6-7-16-26-22)27-17-8-15-24-28-21-12-4-5-14-23(21)29(24)18-9-19-31-20-10-2-1-3-11-20/h1-7,10-14,16H,8-9,15,17-19H2,(H,27,30)
InChIKeyWRJNWWRWFCMYCZ-UHFFFAOYSA-N
XLogP4.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.26
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-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966276
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
CID 16981023
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966177
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide (CID 16966248) is N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide is O=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1)c1ccccn1.
What is the InChIKey of N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The InChIKey is WRJNWWRWFCMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-25(22-13-6-7-16-26-22)27-17-8-15-24-28-21-12-4-5-14-23(21)29(24)18-9-19-31-20-10-2-1-3-11-20/h1-7,10-14,16H,8-9,15,17-19H2,(H,27,30).
What are the key properties of N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).