N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C17H17N5O3 — CID 166350115

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCc1ncn(-c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)c1C
InChIInChI=1S/C17H17N5O3/c1-10-11(2)22(9-18-10)14-5-3-12(4-6-14)19-15(23)7-13-8-16(24)21-17(25)20-13/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H2,20,21,24,25)
InChIKeyXVALTYBEEIWNQV-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.05
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 166350115) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID166350115
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCc1ncn(-c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)c1C
InChIInChI=1S/C17H17N5O3/c1-10-11(2)22(9-18-10)14-5-3-12(4-6-14)19-15(23)7-13-8-16(24)21-17(25)20-13/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H2,20,21,24,25)
InChIKeyXVALTYBEEIWNQV-UHFFFAOYSA-N
XLogP1.05
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 166350115) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is Cc1ncn(-c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is XVALTYBEEIWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-11(2)22(9-18-10)14-5-3-12(4-6-14)19-15(23)7-13-8-16(24)21-17(25)20-13/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H2,20,21,24,25).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 166350115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).