N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide

C12H12ClN3O — CID 110684075

IUPACN-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)6-15-12(17)5-11-7-14-8-16-11/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)
InChIKeySRCOZXMCGYDRNJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.92
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 110684075) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID110684075
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)6-15-12(17)5-11-7-14-8-16-11/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)
InChIKeySRCOZXMCGYDRNJ-UHFFFAOYSA-N
XLogP1.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123556017
N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 70563287
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684225
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684086
1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
CID 22450062

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide (CID 110684075) is N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is SRCOZXMCGYDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)6-15-12(17)5-11-7-14-8-16-11/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 110684075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).