5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C15H18N4O3 — CID 22295960

IUPAC5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1N(C)c2ccccc2N1c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N4O3/c1-9-16(2)10-7-5-6-8-11(10)19(9)12-13(20)17(3)15(22)18(4)14(12)21/h5-9,20H,1-4H3
InChIKeyAUZAMBDMRKCKCP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.72
Rot. Bonds1

About 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 22295960) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID22295960
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1N(C)c2ccccc2N1c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N4O3/c1-9-16(2)10-7-5-6-8-11(10)19(9)12-13(20)17(3)15(22)18(4)14(12)21/h5-9,20H,1-4H3
InChIKeyAUZAMBDMRKCKCP-UHFFFAOYSA-N
XLogP0.72
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
CID 22295579
1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
CID 166657827
(2S)-1-[6-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-2,3-dimethyl-2H-benzimidazole
CID 123501271
3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
CID 140917852
1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
CID 160589142
(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
CID 118314581
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
5-hydroxy-3-methyl-1-phenylpyrimidine-2,4-dione
CID 90752094
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 160784637
6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 807088
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole-4,5-dicarbonitrile
CID 122433271
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
CID 159326911

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 22295960) is 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC1N(C)c2ccccc2N1c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AUZAMBDMRKCKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-16(2)10-7-5-6-8-11(10)19(9)12-13(20)17(3)15(22)18(4)14(12)21/h5-9,20H,1-4H3.
What are the key properties of 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-2H-benzimidazol-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 22295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).