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

C26H36N4O — CID 16965865

IUPACN-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H36N4O/c1-2-3-4-5-6-7-8-9-12-21-30-24-14-11-10-13-23(24)29-25(30)17-20-28-26(31)22-15-18-27-19-16-22/h10-11,13-16,18-19H,2-9,12,17,20-21H2,1H3,(H,28,31)
InChIKeyWKWQJRURFIIHDA-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.93
Rot. Bonds14

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

N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 16965865) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID16965865
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H36N4O/c1-2-3-4-5-6-7-8-9-12-21-30-24-14-11-10-13-23(24)29-25(30)17-20-28-26(31)22-15-18-27-19-16-22/h10-11,13-16,18-19H,2-9,12,17,20-21H2,1H3,(H,28,31)
InChIKeyWKWQJRURFIIHDA-UHFFFAOYSA-N
XLogP5.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.93
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-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965962
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 16965865) is N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is CCCCCCCCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is WKWQJRURFIIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-2-3-4-5-6-7-8-9-12-21-30-24-14-11-10-13-23(24)29-25(30)17-20-28-26(31)22-15-18-27-19-16-22/h10-11,13-16,18-19H,2-9,12,17,20-21H2,1H3,(H,28,31).
What are the key properties of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).