2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one

C14H14N4O — CID 137008906

IUPAC2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-n2c(C)nc3ccccc32)cc(=O)[nH]1
InChIInChI=1S/C14H14N4O/c1-3-12-16-13(8-14(19)17-12)18-9(2)15-10-6-4-5-7-11(10)18/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyZFMBKOGHGMQAQT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.98
Rot. Bonds2

About 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008906) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one
PubChem CID137008906
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-n2c(C)nc3ccccc32)cc(=O)[nH]1
InChIInChI=1S/C14H14N4O/c1-3-12-16-13(8-14(19)17-12)18-9(2)15-10-6-4-5-7-11(10)18/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyZFMBKOGHGMQAQT-UHFFFAOYSA-N
XLogP1.98
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)-6-(2-methylindol-1-yl)-4-pyridinyl]benzimidazole
CID 58625626
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
CID 90736229
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136979446
1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137068959

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one (CID 137008906) is 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one is CCc1nc(-n2c(C)nc3ccccc32)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZFMBKOGHGMQAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-12-16-13(8-14(19)17-12)18-9(2)15-10-6-4-5-7-11(10)18/h4-8H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).