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

C24H32N4O — CID 16965377

IUPACN-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C24H32N4O/c1-3-4-5-6-7-8-11-18-28-22-13-10-9-12-21(22)27-23(28)19(2)26-24(29)20-14-16-25-17-15-20/h9-10,12-17,19H,3-8,11,18H2,1-2H3,(H,26,29)
InChIKeyDQVSBVWKHADEAU-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.67
Rot. Bonds11

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

N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 16965377) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID16965377
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C24H32N4O/c1-3-4-5-6-7-8-11-18-28-22-13-10-9-12-21(22)27-23(28)19(2)26-24(29)20-14-16-25-17-15-20/h9-10,12-17,19H,3-8,11,18H2,1-2H3,(H,26,29)
InChIKeyDQVSBVWKHADEAU-UHFFFAOYSA-N
XLogP5.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.67
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-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
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-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 16965377) is N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is CCCCCCCCCn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DQVSBVWKHADEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-3-4-5-6-7-8-11-18-28-22-13-10-9-12-21(22)27-23(28)19(2)26-24(29)20-14-16-25-17-15-20/h9-10,12-17,19H,3-8,11,18H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).