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

C28H31N3O2 — CID 17007092

IUPAC2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(OCCCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O2/c1-20-10-13-23(14-11-20)33-17-7-6-16-31-26-9-5-4-8-25(26)30-27(31)19-29-28(32)24-15-12-21(2)18-22(24)3/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(H,29,32)
InChIKeyLKULUSXNOODQOZ-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.75
Rot. Bonds9

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

2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007092) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007092
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(OCCCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O2/c1-20-10-13-23(14-11-20)33-17-7-6-16-31-26-9-5-4-8-25(26)30-27(31)19-29-28(32)24-15-12-21(2)18-22(24)3/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(H,29,32)
InChIKeyLKULUSXNOODQOZ-UHFFFAOYSA-N
XLogP5.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[[1-[4-(4-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

N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007021
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982596
N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007205

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17007092) is 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(OCCCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1.
What is the InChIKey of 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is LKULUSXNOODQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20-10-13-23(14-11-20)33-17-7-6-16-31-26-9-5-4-8-25(26)30-27(31)19-29-28(32)24-15-12-21(2)18-22(24)3/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(H,29,32).
What are the key properties of 2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 5.75, 9 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-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).