N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide

C32H48N4O — CID 16965544

IUPACN-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C32H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-30-21-18-17-20-29(30)35-31(36)27-34-32(37)28-22-24-33-25-23-28/h17-18,20-25H,2-16,19,26-27H2,1H3,(H,34,37)
InChIKeyHQQVFOFGXPESKY-UHFFFAOYSA-N
MW504.76 g/mol
LogP8.62
Rot. Bonds20

About N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide

N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 16965544) has the molecular formula C32H48N4O and a molecular weight of 504.76 g/mol. Its IUPAC name is N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID16965544
Molecular FormulaC32H48N4O
Molecular Weight504.76 g/mol
Exact Mass504.38
IUPAC NameN-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C32H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-30-21-18-17-20-29(30)35-31(36)27-34-32(37)28-22-24-33-25-23-28/h17-18,20-25H,2-16,19,26-27H2,1H3,(H,34,37)
InChIKeyHQQVFOFGXPESKY-UHFFFAOYSA-N
XLogP8.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.76
LogP ≤ 58.62
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]pyridine-4-carboxamide
CID 16965865
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866

Frequently Asked Questions

What is the IUPAC name of N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide (CID 16965544) is N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide is CCCCCCCCCCCCCCCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HQQVFOFGXPESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-30-21-18-17-20-29(30)35-31(36)27-34-32(37)28-22-24-33-25-23-28/h17-18,20-25H,2-16,19,26-27H2,1H3,(H,34,37).
What are the key properties of N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 504.76 g/mol, XLogP of 8.62, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).