N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide

C11H12N4O — CID 106558064

IUPACN-[3-(2-aminoimidazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ccnc2N)c1
InChIInChI=1S/C11H12N4O/c1-8(16)14-9-3-2-4-10(7-9)15-6-5-13-11(15)12/h2-7H,1H3,(H2,12,13)(H,14,16)
InChIKeyBQAKCQKJOBEICK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.41
Rot. Bonds2

About N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide

N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide (PubChem CID 106558064) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-aminoimidazol-1-yl)phenyl]acetamide
PubChem CID106558064
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[3-(2-aminoimidazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ccnc2N)c1
InChIInChI=1S/C11H12N4O/c1-8(16)14-9-3-2-4-10(7-9)15-6-5-13-11(15)12/h2-7H,1H3,(H2,12,13)(H,14,16)
InChIKeyBQAKCQKJOBEICK-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]phenyl]acetamide
CID 56891324
1-(3-phenoxyphenyl)imidazol-2-amine
CID 106566517
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide
CID 21445653
N-[3-[5-(1,3-oxazol-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016345
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]acetamide
CID 44544031
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-[3-[5-(2-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016631
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide (CID 106558064) is N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(-n2ccnc2N)c1.
What is the InChIKey of N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide?
The InChIKey is BQAKCQKJOBEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(16)14-9-3-2-4-10(7-9)15-6-5-13-11(15)12/h2-7H,1H3,(H2,12,13)(H,14,16).
What are the key properties of N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide?
N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 106558064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).