N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide

C25H26N4O2 — CID 16965763

IUPACN-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1OCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C25H26N4O2/c1-19-8-3-6-11-23(19)31-17-7-16-29-22-10-5-4-9-21(22)27-24(29)18-28(2)25(30)20-12-14-26-15-13-20/h3-6,8-15H,7,16-18H2,1-2H3
InChIKeyHSDWOQNRSBXIJM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.48
Rot. Bonds8

About N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide

N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 16965763) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID16965763
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1OCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C25H26N4O2/c1-19-8-3-6-11-23(19)31-17-7-16-29-22-10-5-4-9-21(22)27-24(29)18-28(2)25(30)20-12-14-26-15-13-20/h3-6,8-15H,7,16-18H2,1-2H3
InChIKeyHSDWOQNRSBXIJM-UHFFFAOYSA-N
XLogP4.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 53044271
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 60597306
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (CID 16965763) is N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is Cc1ccccc1OCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is HSDWOQNRSBXIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-8-3-6-11-23(19)31-17-7-16-29-22-10-5-4-9-21(22)27-24(29)18-28(2)25(30)20-12-14-26-15-13-20/h3-6,8-15H,7,16-18H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).