1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole

C19H22N2O — CID 16995230

IUPAC1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
SMILESCc1cccc(OCCCn2c(C)nc3ccccc32)c1C
InChIInChI=1S/C19H22N2O/c1-14-8-6-11-19(15(14)2)22-13-7-12-21-16(3)20-17-9-4-5-10-18(17)21/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyYBYLSNNCLJMMIB-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.43
Rot. Bonds5

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

1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole (PubChem CID 16995230) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
PubChem CID16995230
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
SMILESCc1cccc(OCCCn2c(C)nc3ccccc32)c1C
InChIInChI=1S/C19H22N2O/c1-14-8-6-11-19(15(14)2)22-13-7-12-21-16(3)20-17-9-4-5-10-18(17)21/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyYBYLSNNCLJMMIB-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(2,3-dimethylphenoxy)propyl]benzimidazole
CID 16998981
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
1-[3-(2,3-dimethylphenoxy)propyl]benzotriazole
CID 2987716
1-[4-(2,3-dimethylphenoxy)butyl]-2-[1-(4-methylpiperazin-1-yl)ethyl]benzimidazole
CID 18885216
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966412
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole?
The IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole (CID 16995230) is 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole is Cc1cccc(OCCCn2c(C)nc3ccccc32)c1C.
What is the InChIKey of 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole?
The InChIKey is YBYLSNNCLJMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-6-11-19(15(14)2)22-13-7-12-21-16(3)20-17-9-4-5-10-18(17)21/h4-6,8-11H,7,12-13H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole?
1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole is sourced from PubChem (CID 16995230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).