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

C26H28N4O2 — CID 16966877

IUPACN-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-19(2)20-10-4-7-14-24(20)32-17-16-30-23-13-6-5-11-21(23)28-25(30)18-29(3)26(31)22-12-8-9-15-27-22/h4-15,19H,16-18H2,1-3H3
InChIKeyWCTOCMWSUNFKSD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.91
Rot. Bonds8

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

N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966877) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966877
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-19(2)20-10-4-7-14-24(20)32-17-16-30-23-13-6-5-11-21(23)28-25(30)18-29(3)26(31)22-12-8-9-15-27-22/h4-15,19H,16-18H2,1-3H3
InChIKeyWCTOCMWSUNFKSD-UHFFFAOYSA-N
XLogP4.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
2-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972409
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-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
2-methyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986915

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966877) is N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is CC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is WCTOCMWSUNFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19(2)20-10-4-7-14-24(20)32-17-16-30-23-13-6-5-11-21(23)28-25(30)18-29(3)26(31)22-12-8-9-15-27-22/h4-15,19H,16-18H2,1-3H3.
What are the key properties of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.91, 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-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).