2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide

C23H29N3O2 — CID 16969528

IUPAC2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
SMILESCc1ccccc1OCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-17-10-5-8-13-20(17)28-15-9-14-26-19-12-7-6-11-18(19)25-21(26)16-24-22(27)23(2,3)4/h5-8,10-13H,9,14-16H2,1-4H3,(H,24,27)
InChIKeyKDAGSFFWPDYOHS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.48
Rot. Bonds7

About 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide

2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 16969528) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID16969528
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
SMILESCc1ccccc1OCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-17-10-5-8-13-20(17)28-15-9-14-26-19-12-7-6-11-18(19)25-21(26)16-24-22(27)23(2,3)4/h5-8,10-13H,9,14-16H2,1-4H3,(H,24,27)
InChIKeyKDAGSFFWPDYOHS-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969503
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981490
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
CID 16969497
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981444
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide (CID 16969528) is 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide is Cc1ccccc1OCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is KDAGSFFWPDYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-10-5-8-13-20(17)28-15-9-14-26-19-12-7-6-11-18(19)25-21(26)16-24-22(27)23(2,3)4/h5-8,10-13H,9,14-16H2,1-4H3,(H,24,27).
What are the key properties of 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 16969528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).