3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline

C25H27N3O2 — CID 144678945

IUPAC3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline
SMILESCc1ccc(OCc2nc3ccc(Oc4cccc(NC(C)C)c4)cc3n2C)cc1
InChIInChI=1S/C25H27N3O2/c1-17(2)26-19-6-5-7-21(14-19)30-22-12-13-23-24(15-22)28(4)25(27-23)16-29-20-10-8-18(3)9-11-20/h5-15,17,26H,16H2,1-4H3
InChIKeyFWWSSDCNIDVJIR-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.07
Rot. Bonds7

About 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline

3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline (PubChem CID 144678945) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline
PubChem CID144678945
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline
SMILESCc1ccc(OCc2nc3ccc(Oc4cccc(NC(C)C)c4)cc3n2C)cc1
InChIInChI=1S/C25H27N3O2/c1-17(2)26-19-6-5-7-21(14-19)30-22-12-13-23-24(15-22)28(4)25(27-23)16-29-20-10-8-18(3)9-11-20/h5-15,17,26H,16H2,1-4H3
InChIKeyFWWSSDCNIDVJIR-UHFFFAOYSA-N
XLogP6.07
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline 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-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline;5-[[4-[[1-methyl-6-[3-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;1,3-thiazolidine-2,4-dione
CID 144678944
4-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline;1,3-thiazolidine-2,4-dione
CID 144678867
4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine
CID 144678920
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
CID 144679006
5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10186152
methyl 2-methyl-3-[[1-methyl-6-(3-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68970988
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
3-[[6-(3-fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline?
The IUPAC name of 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline (CID 144678945) is 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline.
What is the SMILES notation for 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline?
The canonical SMILES for 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline is Cc1ccc(OCc2nc3ccc(Oc4cccc(NC(C)C)c4)cc3n2C)cc1.
What is the InChIKey of 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline?
The InChIKey is FWWSSDCNIDVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17(2)26-19-6-5-7-21(14-19)30-22-12-13-23-24(15-22)28(4)25(27-23)16-29-20-10-8-18(3)9-11-20/h5-15,17,26H,16H2,1-4H3.
What are the key properties of 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline?
3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline has a molecular weight of 401.51 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline is sourced from PubChem (CID 144678945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).