2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide

C12H13ClN4O — CID 106718057

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H13ClN4O/c13-9-1-3-10(4-2-9)16-12(18)7-17-6-11(5-14)15-8-17/h1-4,6,8H,5,7,14H2,(H,16,18)
InChIKeyXHFYIXVZPXPVCL-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide

2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 106718057) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID106718057
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H13ClN4O/c13-9-1-3-10(4-2-9)16-12(18)7-17-6-11(5-14)15-8-17/h1-4,6,8H,5,7,14H2,(H,16,18)
InChIKeyXHFYIXVZPXPVCL-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
CID 106718094
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
1-[2-(4-chloroanilino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103879
N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79098178
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
CID 79104858
[amino-[2-(4-chloroanilino)-2-oxoethyl]sulfanylmethylidene]azanium
CID 2113962
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide (CID 106718057) is 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide is NCc1cn(CC(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is XHFYIXVZPXPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-9-1-3-10(4-2-9)16-12(18)7-17-6-11(5-14)15-8-17/h1-4,6,8H,5,7,14H2,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 264.72 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 106718057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).