3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C27H29N3O2 — CID 17007362

IUPAC3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCCCn2c(CNC(=O)c3cccc(C)c3)nc3ccccc32)c1
InChIInChI=1S/C27H29N3O2/c1-20-9-7-11-22(17-20)27(31)28-19-26-29-24-13-3-4-14-25(24)30(26)15-5-6-16-32-23-12-8-10-21(2)18-23/h3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3,(H,28,31)
InChIKeyRDMCXXNKFKPEMI-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.44
Rot. Bonds9

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

3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007362) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007362
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCCCn2c(CNC(=O)c3cccc(C)c3)nc3ccccc32)c1
InChIInChI=1S/C27H29N3O2/c1-20-9-7-11-22(17-20)27(31)28-19-26-29-24-13-3-4-14-25(24)30(26)15-5-6-16-32-23-12-8-10-21(2)18-23/h3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3,(H,28,31)
InChIKeyRDMCXXNKFKPEMI-UHFFFAOYSA-N
XLogP5.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]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

3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007372
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17007362) is 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(OCCCCn2c(CNC(=O)c3cccc(C)c3)nc3ccccc32)c1.
What is the InChIKey of 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is RDMCXXNKFKPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-9-7-11-22(17-20)27(31)28-19-26-29-24-13-3-4-14-25(24)30(26)15-5-6-16-32-23-12-8-10-21(2)18-23/h3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3,(H,28,31).
What are the key properties of 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).