N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide

C29H33N3O3 — CID 16990299

IUPACN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
SMILESCOc1ccccc1OCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C29H33N3O3/c1-22-11-10-12-23(21-22)29(33)30-18-9-3-4-17-28-31-24-13-5-6-14-25(24)32(28)19-20-35-27-16-8-7-15-26(27)34-2/h5-8,10-16,21H,3-4,9,17-20H2,1-2H3,(H,30,33)
InChIKeyJKHDLKABJFWPCR-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.58
Rot. Bonds12

About N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide

N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide (PubChem CID 16990299) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
PubChem CID16990299
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
SMILESCOc1ccccc1OCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C29H33N3O3/c1-22-11-10-12-23(21-22)29(33)30-18-9-3-4-17-28-31-24-13-5-6-14-25(24)32(28)19-20-35-27-16-8-7-15-26(27)34-2/h5-8,10-16,21H,3-4,9,17-20H2,1-2H3,(H,30,33)
InChIKeyJKHDLKABJFWPCR-UHFFFAOYSA-N
XLogP5.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide 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-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990293
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
3,4,5-trimethoxy-N-[5-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991134
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991103
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990997
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990335
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?
The IUPAC name of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide (CID 16990299) is N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?
The canonical SMILES for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide is COc1ccccc1OCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?
The InChIKey is JKHDLKABJFWPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-22-11-10-12-23(21-22)29(33)30-18-9-3-4-17-28-31-24-13-5-6-14-25(24)32(28)19-20-35-27-16-8-7-15-26(27)34-2/h5-8,10-16,21H,3-4,9,17-20H2,1-2H3,(H,30,33).
What are the key properties of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide has a molecular weight of 471.60 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide is sourced from PubChem (CID 16990299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).