N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C20H23N3O — CID 751307

IUPACN-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C
InChIInChI=1S/C20H23N3O/c1-14-8-9-15(2)17(12-14)13-23-19-7-5-4-6-18(19)22-20(23)10-11-21-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyAWLGPBLNFTVZGM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.38
Rot. Bonds5

About N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 751307) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID751307
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C
InChIInChI=1S/C20H23N3O/c1-14-8-9-15(2)17(12-14)13-23-19-7-5-4-6-18(19)22-20(23)10-11-21-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyAWLGPBLNFTVZGM-UHFFFAOYSA-N
XLogP3.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 751307) is N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C.
What is the InChIKey of N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is AWLGPBLNFTVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-8-9-15(2)17(12-14)13-23-19-7-5-4-6-18(19)22-20(23)10-11-21-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 751307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).