4-acetamido-2-phenyl-1H-imidazole-5-carboxamide

C12H12N4O2 — CID 44522520

IUPAC4-acetamido-2-phenyl-1H-imidazole-5-carboxamide
SMILESCC(=O)Nc1nc(-c2ccccc2)[nH]c1C(N)=O
InChIInChI=1S/C12H12N4O2/c1-7(17)14-12-9(10(13)18)15-11(16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyXPTVJOMFYFRVEB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.13
Rot. Bonds3

About 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide

4-acetamido-2-phenyl-1H-imidazole-5-carboxamide (PubChem CID 44522520) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-2-phenyl-1H-imidazole-5-carboxamide
PubChem CID44522520
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-acetamido-2-phenyl-1H-imidazole-5-carboxamide
SMILESCC(=O)Nc1nc(-c2ccccc2)[nH]c1C(N)=O
InChIInChI=1S/C12H12N4O2/c1-7(17)14-12-9(10(13)18)15-11(16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyXPTVJOMFYFRVEB-UHFFFAOYSA-N
XLogP1.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1922
1,3-Diethyl-8-phenylxanthine
CID 1328
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CID 73001
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CID 128784
1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione
CID 11781054
8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione
CID 15627855
8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 323305
1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dione
CID 10084483
1H-Purine-2,6,dione, 3,7-dihydro-1-methyl-8-phenyl-3-propyl-
CID 3075952
1H-Purine-2,6,dione, 3,7-dihydro-3-methyl-8-phenyl-1-propyl-
CID 3075953
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-fluorophenyl)ethenyl)-, (E)-
CID 6448753
1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione
CID 323342

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide (CID 44522520) is 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide is CC(=O)Nc1nc(-c2ccccc2)[nH]c1C(N)=O.
What is the InChIKey of 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is XPTVJOMFYFRVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7(17)14-12-9(10(13)18)15-11(16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,18)(H,14,17)(H,15,16).
What are the key properties of 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide?
4-acetamido-2-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 44522520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).