5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one

C12H10N4O2 — CID 116903807

IUPAC5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H10N4O2/c1-18-12-13-5-4-8(16-12)7-2-3-9-10(6-7)15-11(17)14-9/h2-6H,1H3,(H2,14,15,17)
InChIKeyZNBFXKHXIJYPBU-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.32
Rot. Bonds2

About 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one

5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116903807) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116903807
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H10N4O2/c1-18-12-13-5-4-8(16-12)7-2-3-9-10(6-7)15-11(17)14-9/h2-6H,1H3,(H2,14,15,17)
InChIKeyZNBFXKHXIJYPBU-UHFFFAOYSA-N
XLogP1.32
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
2-methoxy-4-(6-methylnaphthalen-2-yl)pyrimidine
CID 116903843
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
4-(2-methoxypyrimidin-4-yl)-N-methylaniline
CID 145078469
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116891819
4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
7-(4-methoxy-2-pyridinyl)-1H-quinolin-2-one
CID 18667592
5-(2-methyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 20550354
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
CID 116903796
3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 70873436

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 116903807) is 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one is COc1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZNBFXKHXIJYPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-12-13-5-4-8(16-12)7-2-3-9-10(6-7)15-11(17)14-9/h2-6H,1H3,(H2,14,15,17).
What are the key properties of 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 242.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116903807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).