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

C20H24N4O — CID 16966831

IUPACN-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-3-4-9-14-24-18-12-6-5-10-16(18)22-19(24)15-23(2)20(25)17-11-7-8-13-21-17/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyBFURTNCWPAYIIW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.89
Rot. Bonds7

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

N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 16966831) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID16966831
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-3-4-9-14-24-18-12-6-5-10-16(18)22-19(24)15-23(2)20(25)17-11-7-8-13-21-17/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyBFURTNCWPAYIIW-UHFFFAOYSA-N
XLogP3.89
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.89
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-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
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-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 16966831) is N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide is CCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BFURTNCWPAYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-4-9-14-24-18-12-6-5-10-16(18)22-19(24)15-23(2)20(25)17-11-7-8-13-21-17/h5-8,10-13H,3-4,9,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide?
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).