N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

C27H29N3O2 — CID 16978268

IUPACN-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCc1ccccc1OCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-21-9-5-8-14-25(21)32-20-19-30-24-13-7-6-12-23(24)29-26(30)17-18-28-27(31)16-15-22-10-3-2-4-11-22/h2-14H,15-20H2,1H3,(H,28,31)
InChIKeyVEVGRIHIKRYQJS-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.72
Rot. Bonds10

About N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 16978268) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
PubChem CID16978268
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCc1ccccc1OCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-21-9-5-8-14-25(21)32-20-19-30-24-13-7-6-12-23(24)29-26(30)17-18-28-27(31)16-15-22-10-3-2-4-11-22/h2-14H,15-20H2,1H3,(H,28,31)
InChIKeyVEVGRIHIKRYQJS-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide 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-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978331
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978810
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16985556
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986093

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (CID 16978268) is N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is Cc1ccccc1OCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The InChIKey is VEVGRIHIKRYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-21-9-5-8-14-25(21)32-20-19-30-24-13-7-6-12-23(24)29-26(30)17-18-28-27(31)16-15-22-10-3-2-4-11-22/h2-14H,15-20H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 427.55 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16978268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).