N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C16H15N5O3 — CID 167835575

IUPACN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)[nH]c1=O
InChIInChI=1S/C16H15N5O3/c1-21-13(22)8-12(20-16(21)24)15(23)19-9-10-3-2-4-11(7-10)14-17-5-6-18-14/h2-8H,9H2,1H3,(H,17,18)(H,19,23)(H,20,24)
InChIKeyVIQKWDZCMLLGSI-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.39
Rot. Bonds4

About N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 167835575) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID167835575
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)[nH]c1=O
InChIInChI=1S/C16H15N5O3/c1-21-13(22)8-12(20-16(21)24)15(23)19-9-10-3-2-4-11(7-10)14-17-5-6-18-14/h2-8H,9H2,1H3,(H,17,18)(H,19,23)(H,20,24)
InChIKeyVIQKWDZCMLLGSI-UHFFFAOYSA-N
XLogP0.39
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 167835575) is N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cn1c(=O)cc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)[nH]c1=O.
What is the InChIKey of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is VIQKWDZCMLLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-21-13(22)8-12(20-16(21)24)15(23)19-9-10-3-2-4-11(7-10)14-17-5-6-18-14/h2-8H,9H2,1H3,(H,17,18)(H,19,23)(H,20,24).
What are the key properties of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 167835575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).