1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone

C13H14ClN3O — CID 71319803

IUPAC1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-9(18)12-8-16-13(17-12)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyAXCNGYCVINKFKU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone

1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone (PubChem CID 71319803) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone
PubChem CID71319803
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-9(18)12-8-16-13(17-12)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyAXCNGYCVINKFKU-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 109237870
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone (CID 71319803) is 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(NCCc2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone?
The InChIKey is AXCNGYCVINKFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9(18)12-8-16-13(17-12)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone?
1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone has a molecular weight of 263.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 71319803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).