N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C26H28N4O2 — CID 16964123

IUPACN-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-19(2)21-10-4-7-13-24(21)32-16-15-30-23-12-6-5-11-22(23)28-25(30)18-29(3)26(31)20-9-8-14-27-17-20/h4-14,17,19H,15-16,18H2,1-3H3
InChIKeyYNPSLPQBECIODM-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-3-carboxamide

N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964123) 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-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964123
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-3-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-19(2)21-10-4-7-13-24(21)32-16-15-30-23-12-6-5-11-22(23)28-25(30)18-29(3)26(31)20-9-8-14-27-17-20/h4-14,17,19H,15-16,18H2,1-3H3
InChIKeyYNPSLPQBECIODM-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

Analyze N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964075
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
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-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964123) is N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is CC(C)c1ccccc1OCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is YNPSLPQBECIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19(2)21-10-4-7-13-24(21)32-16-15-30-23-12-6-5-11-22(23)28-25(30)18-29(3)26(31)20-9-8-14-27-17-20/h4-14,17,19H,15-16,18H2,1-3H3.
What are the key properties of N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 16964123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).