N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide

C12H12BrN3O2 — CID 62221758

IUPACN-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1CO)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-2-4-10(9)15-12(18)7-16-6-5-14-11(16)8-17/h1-6,17H,7-8H2,(H,15,18)
InChIKeyPSLXJYIHIKIYGY-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.78
Rot. Bonds4

About N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide

N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide (PubChem CID 62221758) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
PubChem CID62221758
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1CO)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-2-4-10(9)15-12(18)7-16-6-5-14-11(16)8-17/h1-6,17H,7-8H2,(H,15,18)
InChIKeyPSLXJYIHIKIYGY-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-(2-ethylimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 63811305
2-[2-(3-hydroxypropyl)imidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 155958535
N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 60694560
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66397839
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide (CID 62221758) is N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide is O=C(Cn1ccnc1CO)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide?
The InChIKey is PSLXJYIHIKIYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-3-1-2-4-10(9)15-12(18)7-16-6-5-14-11(16)8-17/h1-6,17H,7-8H2,(H,15,18).
What are the key properties of N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide?
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide has a molecular weight of 310.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 62221758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).