3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide

C15H18N4O2 — CID 110666440

IUPAC3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C15H18N4O2/c1-10-17-9-14(18-10)6-7-16-15(21)12-4-3-5-13(8-12)19-11(2)20/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyBPXCZNLUIPWDLG-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.65
Rot. Bonds5

About 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide

3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 110666440) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID110666440
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C15H18N4O2/c1-10-17-9-14(18-10)6-7-16-15(21)12-4-3-5-13(8-12)19-11(2)20/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyBPXCZNLUIPWDLG-UHFFFAOYSA-N
XLogP1.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
3-acetamido-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660519
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
CID 110666460
3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108541864

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (CID 110666440) is 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCc2cnc(C)[nH]2)c1.
What is the InChIKey of 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is BPXCZNLUIPWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-17-9-14(18-10)6-7-16-15(21)12-4-3-5-13(8-12)19-11(2)20/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110666440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).