N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

C24H23ClN4O2 — CID 16965752

IUPACN-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCc1cc(OCCn2c(CN(C)C(=O)c3ccncc3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C24H23ClN4O2/c1-17-15-19(7-8-20(17)25)31-14-13-29-22-6-4-3-5-21(22)27-23(29)16-28(2)24(30)18-9-11-26-12-10-18/h3-12,15H,13-14,16H2,1-2H3
InChIKeyPQAFGCTYGKJDJJ-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.74
Rot. Bonds7

About N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 16965752) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID16965752
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCc1cc(OCCn2c(CN(C)C(=O)c3ccncc3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C24H23ClN4O2/c1-17-15-19(7-8-20(17)25)31-14-13-29-22-6-4-3-5-21(22)27-23(29)16-28(2)24(30)18-9-11-26-12-10-18/h3-12,15H,13-14,16H2,1-2H3
InChIKeyPQAFGCTYGKJDJJ-UHFFFAOYSA-N
XLogP4.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 6494355
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966076
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-[2-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965970
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-[1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965428
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-[2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980427
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-[2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16974992

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (CID 16965752) is N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is Cc1cc(OCCn2c(CN(C)C(=O)c3ccncc3)nc3ccccc32)ccc1Cl.
What is the InChIKey of N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is PQAFGCTYGKJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-17-15-19(7-8-20(17)25)31-14-13-29-22-6-4-3-5-21(22)27-23(29)16-28(2)24(30)18-9-11-26-12-10-18/h3-12,15H,13-14,16H2,1-2H3.
What are the key properties of N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 16965752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).