N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

C24H24N4O2 — CID 16965916

IUPACN-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O2/c1-18-6-8-20(9-7-18)30-17-16-28-22-5-3-2-4-21(22)27-23(28)12-15-26-24(29)19-10-13-25-14-11-19/h2-11,13-14H,12,15-17H2,1H3,(H,26,29)
InChIKeyBMAQBEHVCGDOGV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965916) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965916
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O2/c1-18-6-8-20(9-7-18)30-17-16-28-22-5-3-2-4-21(22)27-23(28)12-15-26-24(29)19-10-13-25-14-11-19/h2-11,13-14H,12,15-17H2,1H3,(H,26,29)
InChIKeyBMAQBEHVCGDOGV-UHFFFAOYSA-N
XLogP3.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965916) is N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is Cc1ccc(OCCn2c(CCNC(=O)c3ccncc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is BMAQBEHVCGDOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-6-8-20(9-7-18)30-17-16-28-22-5-3-2-4-21(22)27-23(28)12-15-26-24(29)19-10-13-25-14-11-19/h2-11,13-14H,12,15-17H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).