N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide

C19H21N3O2 — CID 23383026

IUPACN-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-4-17(24-18-8-5-12(2)9-13(18)3)19(23)22-14-6-7-15-16(10-14)21-11-20-15/h5-11,17H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyCIMKTONSOAKUDG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.98
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide

N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide (PubChem CID 23383026) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
PubChem CID23383026
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-4-17(24-18-8-5-12(2)9-13(18)3)19(23)22-14-6-7-15-16(10-14)21-11-20-15/h5-11,17H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyCIMKTONSOAKUDG-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 132651398
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510594
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide (CID 23383026) is N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide?
The InChIKey is CIMKTONSOAKUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-17(24-18-8-5-12(2)9-13(18)3)19(23)22-14-6-7-15-16(10-14)21-11-20-15/h5-11,17H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide?
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide has a molecular weight of 323.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 23383026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).