5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide

C13H16N4O — CID 18360492

IUPAC5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2cnc(N)c2C(N)=O)c1
InChIInChI=1S/C13H16N4O/c1-8-3-9(2)5-10(4-8)6-17-7-16-12(14)11(17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18)
InChIKeyYZVIPJWFJXHEGX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds3

About 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide

5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide (PubChem CID 18360492) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide
PubChem CID18360492
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2cnc(N)c2C(N)=O)c1
InChIInChI=1S/C13H16N4O/c1-8-3-9(2)5-10(4-8)6-17-7-16-12(14)11(17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18)
InChIKeyYZVIPJWFJXHEGX-UHFFFAOYSA-N
XLogP1.23
TPSA86.93 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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide (CID 18360492) is 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide is Cc1cc(C)cc(Cn2cnc(N)c2C(N)=O)c1.
What is the InChIKey of 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is YZVIPJWFJXHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-3-9(2)5-10(4-8)6-17-7-16-12(14)11(17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18).
What are the key properties of 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide?
5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 18360492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).