N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide

C22H28N4O — CID 16965699

IUPACN-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)24-21(26)17-25(2)22(27)18-12-14-23-15-13-18/h7-8,10-15H,3-6,9,16-17H2,1-2H3
InChIKeyARHKBSMUSGSOCN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.67
Rot. Bonds9

About N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide

N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 16965699) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID16965699
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)24-21(26)17-25(2)22(27)18-12-14-23-15-13-18/h7-8,10-15H,3-6,9,16-17H2,1-2H3
InChIKeyARHKBSMUSGSOCN-UHFFFAOYSA-N
XLogP4.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.67
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-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965721
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide (CID 16965699) is N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide is CCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is ARHKBSMUSGSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-4-5-6-9-16-26-20-11-8-7-10-19(20)24-21(26)17-25(2)22(27)18-12-14-23-15-13-18/h7-8,10-15H,3-6,9,16-17H2,1-2H3.
What are the key properties of N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 16965699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).