N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C22H27N3O — CID 16968118

IUPACN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-15(23-16(2)26)21-24-19-8-6-7-9-20(19)25(21)14-17-10-12-18(13-11-17)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26)
InChIKeyHOERSWJAUKWAAB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.58
Rot. Bonds4

About N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16968118) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16968118
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-15(23-16(2)26)21-24-19-8-6-7-9-20(19)25(21)14-17-10-12-18(13-11-17)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26)
InChIKeyHOERSWJAUKWAAB-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
CID 25486343
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16968118) is N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is HOERSWJAUKWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-15(23-16(2)26)21-24-19-8-6-7-9-20(19)25(21)14-17-10-12-18(13-11-17)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26).
What are the key properties of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16968118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).