2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide

C13H16N4O — CID 167866582

IUPAC2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
SMILESCc1ncn(-c2ccc(NC(=O)CN)cc2)c1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)12-5-3-11(4-6-12)16-13(18)7-14/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyRCEUMQPVGUHMBE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide (PubChem CID 167866582) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
PubChem CID167866582
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
SMILESCc1ncn(-c2ccc(NC(=O)CN)cc2)c1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)12-5-3-11(4-6-12)16-13(18)7-14/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyRCEUMQPVGUHMBE-UHFFFAOYSA-N
XLogP1.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
5-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pentanamide;2,2,2-trifluoroacetic acid
CID 166299142
3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
CID 166350114
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
CID 166305029
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide (CID 167866582) is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide is Cc1ncn(-c2ccc(NC(=O)CN)cc2)c1C.
What is the InChIKey of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The InChIKey is RCEUMQPVGUHMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)12-5-3-11(4-6-12)16-13(18)7-14/h3-6,8H,7,14H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 167866582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).