N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

C23H29N3O2 — CID 16969503

IUPACN-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1cccc(OCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1C
InChIInChI=1S/C23H29N3O2/c1-16-9-8-12-20(17(16)2)28-14-13-26-19-11-7-6-10-18(19)25-21(26)15-24-22(27)23(3,4)5/h6-12H,13-15H2,1-5H3,(H,24,27)
InChIKeyKWADAUXXOKMNDB-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.39
Rot. Bonds6

About N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 16969503) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID16969503
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1cccc(OCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1C
InChIInChI=1S/C23H29N3O2/c1-16-9-8-12-20(17(16)2)28-14-13-26-19-11-7-6-10-18(19)25-21(26)15-24-22(27)23(3,4)5/h6-12H,13-15H2,1-5H3,(H,24,27)
InChIKeyKWADAUXXOKMNDB-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
4-bromo-N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009190
N-[[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972459
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
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-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981444

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (CID 16969503) is N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is Cc1cccc(OCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1C.
What is the InChIKey of N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is KWADAUXXOKMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-9-8-12-20(17(16)2)28-14-13-26-19-11-7-6-10-18(19)25-21(26)15-24-22(27)23(3,4)5/h6-12H,13-15H2,1-5H3,(H,24,27).
What are the key properties of N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).