1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole

C20H24N2O — CID 16995249

IUPAC1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
SMILESCc1cccc(OCCCCn2c(C)nc3ccccc32)c1C
InChIInChI=1S/C20H24N2O/c1-15-9-8-12-20(16(15)2)23-14-7-6-13-22-17(3)21-18-10-4-5-11-19(18)22/h4-5,8-12H,6-7,13-14H2,1-3H3
InChIKeyNYCFUXLPLONXQF-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.82
Rot. Bonds6

About 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole

1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole (PubChem CID 16995249) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
PubChem CID16995249
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
SMILESCc1cccc(OCCCCn2c(C)nc3ccccc32)c1C
InChIInChI=1S/C20H24N2O/c1-15-9-8-12-20(16(15)2)23-14-7-6-13-22-17(3)21-18-10-4-5-11-19(18)22/h4-5,8-12H,6-7,13-14H2,1-3H3
InChIKeyNYCFUXLPLONXQF-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole 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

1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
CID 16995230
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-[4-(2,3-dimethylphenoxy)butyl]-2-[1-(4-methylpiperazin-1-yl)ethyl]benzimidazole
CID 18885216
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
N-[[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972459
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole?
The IUPAC name of 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole (CID 16995249) is 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole is Cc1cccc(OCCCCn2c(C)nc3ccccc32)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole?
The InChIKey is NYCFUXLPLONXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-9-8-12-20(16(15)2)23-14-7-6-13-22-17(3)21-18-10-4-5-11-19(18)22/h4-5,8-12H,6-7,13-14H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole?
1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole is sourced from PubChem (CID 16995249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).