N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

C23H22N4O3 — CID 16966556

IUPACN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H22N4O3/c1-29-20-11-4-5-12-21(20)30-15-14-27-19-10-3-2-8-17(19)26-22(27)16-25-23(28)18-9-6-7-13-24-18/h2-13H,14-16H2,1H3,(H,25,28)
InChIKeyRGPUPJDFTTZAOU-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.45
Rot. Bonds8

About N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966556) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966556
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H22N4O3/c1-29-20-11-4-5-12-21(20)30-15-14-27-19-10-3-2-8-17(19)26-22(27)16-25-23(28)18-9-6-7-13-24-18/h2-13H,14-16H2,1H3,(H,25,28)
InChIKeyRGPUPJDFTTZAOU-UHFFFAOYSA-N
XLogP3.45
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966571
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551
4-bromo-N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009198
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966576
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
4-bromo-N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009252
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966556) is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is COc1ccccc1OCCn1c(CNC(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is RGPUPJDFTTZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-20-11-4-5-12-21(20)30-15-14-27-19-10-3-2-8-17(19)26-22(27)16-25-23(28)18-9-6-7-13-24-18/h2-13H,14-16H2,1H3,(H,25,28).
What are the key properties of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).