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

C25H26N4O2 — CID 16965467

IUPACN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-19(27-25(30)20-13-15-26-16-14-20)24-28-22-11-5-6-12-23(22)29(24)17-7-8-18-31-21-9-3-2-4-10-21/h2-6,9-16,19H,7-8,17-18H2,1H3,(H,27,30)
InChIKeyYPVKFDLQODSEDJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.78
Rot. Bonds9

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

N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965467) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965467
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-19(27-25(30)20-13-15-26-16-14-20)24-28-22-11-5-6-12-23(22)29(24)17-7-8-18-31-21-9-3-2-4-10-21/h2-6,9-16,19H,7-8,17-18H2,1H3,(H,27,30)
InChIKeyYPVKFDLQODSEDJ-UHFFFAOYSA-N
XLogP4.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.78
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-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965453
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965481
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973675
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
N-[1-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963863
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965467) is N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is YPVKFDLQODSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19(27-25(30)20-13-15-26-16-14-20)24-28-22-11-5-6-12-23(22)29(24)17-7-8-18-31-21-9-3-2-4-10-21/h2-6,9-16,19H,7-8,17-18H2,1H3,(H,27,30).
What are the key properties of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).