3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

C28H31N3O2 — CID 17007300

IUPAC3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C28H31N3O2/c1-19(2)23-13-12-21(4)17-26(23)33-15-14-31-25-11-6-5-10-24(25)30-27(31)18-29-28(32)22-9-7-8-20(3)16-22/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,32)
InChIKeyJEGLMBOXSYEMLT-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.79
Rot. Bonds8

About 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007300) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007300
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C28H31N3O2/c1-19(2)23-13-12-21(4)17-26(23)33-15-14-31-25-11-6-5-10-24(25)30-27(31)18-29-28(32)22-9-7-8-20(3)16-22/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,32)
InChIKeyJEGLMBOXSYEMLT-UHFFFAOYSA-N
XLogP5.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973776
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975813
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007807
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
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412
N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17007300) is 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is JEGLMBOXSYEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-19(2)23-13-12-21(4)17-26(23)33-15-14-31-25-11-6-5-10-24(25)30-27(31)18-29-28(32)22-9-7-8-20(3)16-22/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,32).
What are the key properties of 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).