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

C22H28N4O — CID 16965375

IUPACN-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)25-21(26)17(2)24-22(27)18-12-14-23-15-13-18/h7-8,10-15,17H,3-6,9,16H2,1-2H3,(H,24,27)
InChIKeyALBOPGGUTICURX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.89
Rot. Bonds9

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

N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 16965375) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID16965375
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)25-21(26)17(2)24-22(27)18-12-14-23-15-13-18/h7-8,10-15,17H,3-6,9,16H2,1-2H3,(H,24,27)
InChIKeyALBOPGGUTICURX-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965453
N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965498
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 16965375) is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is CCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ALBOPGGUTICURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)25-21(26)17(2)24-22(27)18-12-14-23-15-13-18/h7-8,10-15,17H,3-6,9,16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).