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

C27H27N7O3 — CID 178109284

IUPAC3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(-c2ccc(-n3nc(C)n(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C27H27N7O3/c1-4-22-23(18-8-10-20(11-9-18)34-26(36)31(3)17(2)30-34)12-13-29-25(22)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(28)35/h5-13,16H,4,14-15H2,1-3H3,(H2,28,35)
InChIKeySQRXFGZUUBJVKK-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.05
Rot. Bonds6

About 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

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 (PubChem CID 178109284) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109284
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(-c2ccc(-n3nc(C)n(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C27H27N7O3/c1-4-22-23(18-8-10-20(11-9-18)34-26(36)31(3)17(2)30-34)12-13-29-25(22)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(28)35/h5-13,16H,4,14-15H2,1-3H3,(H2,28,35)
InChIKeySQRXFGZUUBJVKK-UHFFFAOYSA-N
XLogP3.05
TPSA119.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[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
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-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108896
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
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
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-[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-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178109286
3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109308
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(-c2ccc(-n3nc(C)n(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 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?
The InChIKey is SQRXFGZUUBJVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-4-22-23(18-8-10-20(11-9-18)34-26(36)31(3)17(2)30-34)12-13-29-25(22)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(28)35/h5-13,16H,4,14-15H2,1-3H3,(H2,28,35).
What are the key properties of 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?
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 has a molecular weight of 497.56 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178109284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).