2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

C26H27N3O2 — CID 17006996

IUPAC2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O2/c1-18-7-6-8-21(16-18)31-14-13-29-24-10-5-4-9-23(24)28-25(29)17-27-26(30)22-12-11-19(2)15-20(22)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30)
InChIKeyDCNSHRINHUSYRX-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.97
Rot. Bonds7

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

2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006996) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17006996
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(OCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O2/c1-18-7-6-8-21(16-18)31-14-13-29-24-10-5-4-9-23(24)28-25(29)17-27-26(30)22-12-11-19(2)15-20(22)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30)
InChIKeyDCNSHRINHUSYRX-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]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

2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976391
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17006996) is 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(OCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)c1.
What is the InChIKey of 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is DCNSHRINHUSYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-7-6-8-21(16-18)31-14-13-29-24-10-5-4-9-23(24)28-25(29)17-27-26(30)22-12-11-19(2)15-20(22)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30).
What are the key properties of 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).