5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide

C13H16N4O — CID 579689

IUPAC5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(N)n1CCc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-16-11(13(15)18)12(14)17(9)8-7-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H2,15,18)
InChIKeyKDRSIJXVHXRFDW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.12
Rot. Bonds4

About 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide

5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide (PubChem CID 579689) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide
PubChem CID579689
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(N)n1CCc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-16-11(13(15)18)12(14)17(9)8-7-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H2,15,18)
InChIKeyKDRSIJXVHXRFDW-UHFFFAOYSA-N
XLogP1.12
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide?
The IUPAC name of 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide (CID 579689) is 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide?
The canonical SMILES for 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide is Cc1nc(C(N)=O)c(N)n1CCc1ccccc1.
What is the InChIKey of 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide?
The InChIKey is KDRSIJXVHXRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-16-11(13(15)18)12(14)17(9)8-7-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide?
5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(2-phenylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 579689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).