3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide

C24H24N8O3 — CID 178109518

IUPAC3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCn1c(-c2ccc(-n3cnn(C)c3=O)cc2)cnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C24H24N8O3/c1-3-29-20(16-7-9-18(10-8-16)32-15-27-28(2)23(32)34)14-26-22(29)31-12-11-30(24(31)35)19-6-4-5-17(13-19)21(25)33/h4-10,13-15H,3,11-12H2,1-2H3,(H2,25,33)
InChIKeyBMFBDROYMJCKDJ-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.00
Rot. Bonds6

About 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide

3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109518) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109518
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCn1c(-c2ccc(-n3cnn(C)c3=O)cc2)cnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C24H24N8O3/c1-3-29-20(16-7-9-18(10-8-16)32-15-27-28(2)23(32)34)14-26-22(29)31-12-11-30(24(31)35)19-6-4-5-17(13-19)21(25)33/h4-10,13-15H,3,11-12H2,1-2H3,(H2,25,33)
InChIKeyBMFBDROYMJCKDJ-UHFFFAOYSA-N
XLogP2.00
TPSA124.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109200
3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109284
2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
CID 178108897
3-[3-[6-ethyl-3-fluoro-4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109015
3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109310
3-[3-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzamide
CID 178108892
3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109308
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
CID 178011936
3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109222
3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108870
N-(3-carbamoyl-2-fluorophenyl)-3-ethyl-2-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-6-(trifluoromethyl)benzimidazole-4-carboxamide
CID 174251878

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide?
The IUPAC name of 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109518) is 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide is CCn1c(-c2ccc(-n3cnn(C)c3=O)cc2)cnc1N1CCN(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide?
The InChIKey is BMFBDROYMJCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-3-29-20(16-7-9-18(10-8-16)32-15-27-28(2)23(32)34)14-26-22(29)31-12-11-30(24(31)35)19-6-4-5-17(13-19)21(25)33/h4-10,13-15H,3,11-12H2,1-2H3,(H2,25,33).
What are the key properties of 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide?
3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 472.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).