1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole

C20H24N2O — CID 16996509

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
SMILESCc1ccc(OCCn2c(C(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14(2)20-21-17-7-5-6-8-18(17)22(20)11-12-23-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyVMUXKHIJLQICCQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.86
Rot. Bonds5

About 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole

1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole (PubChem CID 16996509) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
PubChem CID16996509
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
SMILESCc1ccc(OCCn2c(C(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14(2)20-21-17-7-5-6-8-18(17)22(20)11-12-23-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyVMUXKHIJLQICCQ-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azepan-1-yl)ethyl]-1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazole
CID 18885294
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969352
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009822
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16620623
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
CID 16999468
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole (CID 16996509) is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole is Cc1ccc(OCCn2c(C(C)C)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The InChIKey is VMUXKHIJLQICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)20-21-17-7-5-6-8-18(17)22(20)11-12-23-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 16996509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).