5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one

C17H20N4O3 — CID 118730756

IUPAC5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(C(=O)c3c(C)[nH]n(C)c3=O)ccc21
InChIInChI=1S/C17H20N4O3/c1-5-20-12-8-7-11(9-13(12)21(6-2)17(20)24)15(22)14-10(3)18-19(4)16(14)23/h7-9,18H,5-6H2,1-4H3
InChIKeyCQABSBIJUOPWAF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.41
Rot. Bonds4

About 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one

5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one (PubChem CID 118730756) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one
PubChem CID118730756
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(C(=O)c3c(C)[nH]n(C)c3=O)ccc21
InChIInChI=1S/C17H20N4O3/c1-5-20-12-8-7-11(9-13(12)21(6-2)17(20)24)15(22)14-10(3)18-19(4)16(14)23/h7-9,18H,5-6H2,1-4H3
InChIKeyCQABSBIJUOPWAF-UHFFFAOYSA-N
XLogP1.41
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one?
The IUPAC name of 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one (CID 118730756) is 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one.
What is the SMILES notation for 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one?
The canonical SMILES for 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one is CCn1c(=O)n(CC)c2cc(C(=O)c3c(C)[nH]n(C)c3=O)ccc21.
What is the InChIKey of 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one?
The InChIKey is CQABSBIJUOPWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-5-20-12-8-7-11(9-13(12)21(6-2)17(20)24)15(22)14-10(3)18-19(4)16(14)23/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one?
5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-1,3-diethylbenzimidazol-2-one is sourced from PubChem (CID 118730756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).