4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

C30H35N3O2 — CID 16991936

IUPAC4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2C)cc1
InChIInChI=1S/C30H35N3O2/c1-23-16-18-25(19-17-23)30(34)31-20-9-3-4-15-29-32-26-12-6-7-13-27(26)33(29)21-10-22-35-28-14-8-5-11-24(28)2/h5-8,11-14,16-19H,3-4,9-10,15,20-22H2,1-2H3,(H,31,34)
InChIKeyXOBBXWCZAFGIBE-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.27
Rot. Bonds12

About 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991936) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991936
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2C)cc1
InChIInChI=1S/C30H35N3O2/c1-23-16-18-25(19-17-23)30(34)31-20-9-3-4-15-29-32-26-12-6-7-13-27(26)33(29)21-10-22-35-28-14-8-5-11-24(28)2/h5-8,11-14,16-19H,3-4,9-10,15,20-22H2,1-2H3,(H,31,34)
InChIKeyXOBBXWCZAFGIBE-UHFFFAOYSA-N
XLogP6.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide 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

4-methyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984323
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991913
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991978
3-bromo-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990669
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990997
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982256
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16991936) is 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2C)cc1.
What is the InChIKey of 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is XOBBXWCZAFGIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-23-16-18-25(19-17-23)30(34)31-20-9-3-4-15-29-32-26-12-6-7-13-27(26)33(29)21-10-22-35-28-14-8-5-11-24(28)2/h5-8,11-14,16-19H,3-4,9-10,15,20-22H2,1-2H3,(H,31,34).
What are the key properties of 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 6.27, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).