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

C24H28N6O2 — CID 24783356

IUPAC5-cyano-N-[2-(cyclohepten-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=CCCCCC3)c2)CN(C)C1=O
InChIInChI=1S/C24H28N6O2/c1-29-14-18(15-30(2)24(29)32)17-9-10-21(20(11-17)16-7-5-3-4-6-8-16)28-23(31)22-26-13-19(12-25)27-22/h7,9-11,13,18H,3-6,8,14-15H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyMHYHMWPNTWEFCB-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.96
Rot. Bonds4

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

5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24783356) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohepten-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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24783356
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-cyano-N-[2-(cyclohepten-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=CCCCCC3)c2)CN(C)C1=O
InChIInChI=1S/C24H28N6O2/c1-29-14-18(15-30(2)24(29)32)17-9-10-21(20(11-17)16-7-5-3-4-6-8-16)28-23(31)22-26-13-19(12-25)27-22/h7,9-11,13,18H,3-6,8,14-15H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyMHYHMWPNTWEFCB-UHFFFAOYSA-N
XLogP3.96
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.96
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-(cyclohepten-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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24783356) is 5-cyano-N-[2-(cyclohepten-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-(cyclohepten-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-(cyclohepten-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=CCCCCC3)c2)CN(C)C1=O.
What is the InChIKey of 5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is MHYHMWPNTWEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-29-14-18(15-30(2)24(29)32)17-9-10-21(20(11-17)16-7-5-3-4-6-8-16)28-23(31)22-26-13-19(12-25)27-22/h7,9-11,13,18H,3-6,8,14-15H2,1-2H3,(H,26,27)(H,28,31).
What are the key properties of 5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.96, 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-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24783356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).