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

C33H50N4O — CID 16966840

IUPACN-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C33H50N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-37-31-25-19-18-23-29(31)35-32(37)28-36(2)33(38)30-24-20-21-26-34-30/h18-21,23-26H,3-17,22,27-28H2,1-2H3
InChIKeyXVUAQTDGROBUSO-UHFFFAOYSA-N
MW518.79 g/mol
LogP8.97
Rot. Bonds20

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

N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 16966840) has the molecular formula C33H50N4O and a molecular weight of 518.79 g/mol. Its IUPAC name is N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID16966840
Molecular FormulaC33H50N4O
Molecular Weight518.79 g/mol
Exact Mass518.40
IUPAC NameN-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C33H50N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-37-31-25-19-18-23-29(31)35-32(37)28-36(2)33(38)30-24-20-21-26-34-30/h18-21,23-26H,3-17,22,27-28H2,1-2H3
InChIKeyXVUAQTDGROBUSO-UHFFFAOYSA-N
XLogP8.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966843
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966869
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966849
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 16966840) is N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide is CCCCCCCCCCCCCCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is XVUAQTDGROBUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-37-31-25-19-18-23-29(31)35-32(37)28-36(2)33(38)30-24-20-21-26-34-30/h18-21,23-26H,3-17,22,27-28H2,1-2H3.
What are the key properties of N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 518.79 g/mol, XLogP of 8.97, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).