N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C24H31N3O2 — CID 16969352

IUPACN-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(OCCn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-16-11-12-21(17(2)15-16)29-14-13-27-20-10-8-7-9-19(20)26-22(27)18(3)25-23(28)24(4,5)6/h7-12,15,18H,13-14H2,1-6H3,(H,25,28)
InChIKeyBEZOMACSSJTIFX-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.96
Rot. Bonds6

About N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969352) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID16969352
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(OCCn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-16-11-12-21(17(2)15-16)29-14-13-27-20-10-8-7-9-19(20)26-22(27)18(3)25-23(28)24(4,5)6/h7-12,15,18H,13-14H2,1-6H3,(H,25,28)
InChIKeyBEZOMACSSJTIFX-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propan-2-ylbenzimidazole
CID 16996509
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
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969371
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3336029
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969370
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966712
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969352) is N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is Cc1ccc(OCCn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is BEZOMACSSJTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-11-12-21(17(2)15-16)29-14-13-27-20-10-8-7-9-19(20)26-22(27)18(3)25-23(28)24(4,5)6/h7-12,15,18H,13-14H2,1-6H3,(H,25,28).
What are the key properties of N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).