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

C24H31N3O2 — CID 17006396

IUPACN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C24H31N3O2/c1-5-19(6-2)24(28)25-16-23-26-20-9-7-8-10-21(20)27(23)13-14-29-22-12-11-17(3)15-18(22)4/h7-12,15,19H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyVCABTPRZQRULTQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.78
Rot. Bonds9

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

N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (PubChem CID 17006396) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
PubChem CID17006396
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C24H31N3O2/c1-5-19(6-2)24(28)25-16-23-26-20-9-7-8-10-21(20)27(23)13-14-29-22-12-11-17(3)15-18(22)4/h7-12,15,19H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyVCABTPRZQRULTQ-UHFFFAOYSA-N
XLogP4.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
CID 17006551
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972405
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988513
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (CID 17006396) is N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C.
What is the InChIKey of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The InChIKey is VCABTPRZQRULTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-19(6-2)24(28)25-16-23-26-20-9-7-8-10-21(20)27(23)13-14-29-22-12-11-17(3)15-18(22)4/h7-12,15,19H,5-6,13-14,16H2,1-4H3,(H,25,28).
What are the key properties of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 393.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 17006396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).