5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide

C25H30N6O2 — CID 24783357

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O
InChIInChI=1S/C25H30N6O2/c1-25(2)9-7-16(8-10-25)20-11-17(18-14-30(3)24(33)31(4)15-18)5-6-21(20)29-23(32)22-27-13-19(12-26)28-22/h5-7,11,13,18H,8-10,14-15H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyPLLXRIKKPQALQF-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.21
Rot. Bonds4

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24783357) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24783357
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O
InChIInChI=1S/C25H30N6O2/c1-25(2)9-7-16(8-10-25)20-11-17(18-14-30(3)24(33)31(4)15-18)5-6-21(20)29-23(32)22-27-13-19(12-26)28-22/h5-7,11,13,18H,8-10,14-15H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyPLLXRIKKPQALQF-UHFFFAOYSA-N
XLogP4.21
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24783357) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide is CN1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is PLLXRIKKPQALQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-25(2)9-7-16(8-10-25)20-11-17(18-14-30(3)24(33)31(4)15-18)5-6-21(20)29-23(32)22-27-13-19(12-26)28-22/h5-7,11,13,18H,8-10,14-15H2,1-4H3,(H,27,28)(H,29,32).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24783357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).