N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

C23H21ClN4O2 — CID 16965753

IUPACN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1
InChIInChI=1S/C23H21ClN4O2/c1-27(23(29)17-10-12-25-13-11-17)16-22-26-20-4-2-3-5-21(20)28(22)14-15-30-19-8-6-18(24)7-9-19/h2-13H,14-16H2,1H3
InChIKeyMMLWKQPIBPUSLY-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.44
Rot. Bonds7

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

N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 16965753) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID16965753
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1
InChIInChI=1S/C23H21ClN4O2/c1-27(23(29)17-10-12-25-13-11-17)16-22-26-20-4-2-3-5-21(20)28(22)14-15-30-19-8-6-18(24)7-9-19/h2-13H,14-16H2,1H3
InChIKeyMMLWKQPIBPUSLY-UHFFFAOYSA-N
XLogP4.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
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-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619647
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 23609980
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (CID 16965753) is N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1.
What is the InChIKey of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is MMLWKQPIBPUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-27(23(29)17-10-12-25-13-11-17)16-22-26-20-4-2-3-5-21(20)28(22)14-15-30-19-8-6-18(24)7-9-19/h2-13H,14-16H2,1H3.
What are the key properties of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.44, 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-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 16965753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).