2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide

C21H25N3O — CID 16969497

IUPAC2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)20(25)22-15-19-23-17-11-7-8-12-18(17)24(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,22,25)
InChIKeyZBFKQEVMZITTRI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.94
Rot. Bonds5

About 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide

2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide (PubChem CID 16969497) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
PubChem CID16969497
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)20(25)22-15-19-23-17-11-7-8-12-18(17)24(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,22,25)
InChIKeyZBFKQEVMZITTRI-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969582
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969503
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969493
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide (CID 16969497) is 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide is CC(C)(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide?
The InChIKey is ZBFKQEVMZITTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(2,3)20(25)22-15-19-23-17-11-7-8-12-18(17)24(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 16969497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).