N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide

C23H27N5O3 — CID 143568050

IUPACN-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H27N5O3/c1-24-19-13-25-22(27-19)23(31)26-18-9-8-15(10-17(18)14-6-4-3-5-7-14)16-11-20(29)28(2)21(30)12-16/h6,8-10,13,16,24H,3-5,7,11-12H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyRECJJFVQYXEVOE-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide (PubChem CID 143568050) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide
PubChem CID143568050
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H27N5O3/c1-24-19-13-25-22(27-19)23(31)26-18-9-8-15(10-17(18)14-6-4-3-5-7-14)16-11-20(29)28(2)21(30)12-16/h6,8-10,13,16,24H,3-5,7,11-12H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyRECJJFVQYXEVOE-UHFFFAOYSA-N
XLogP3.52
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 59771182
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11634981
N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 59128588
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
CID 140651560
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 159331472
5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89103016
5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11705169
N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 24759611
N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide
CID 59771207

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide (CID 143568050) is N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide?
The InChIKey is RECJJFVQYXEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-24-19-13-25-22(27-19)23(31)26-18-9-8-15(10-17(18)14-6-4-3-5-7-14)16-11-20(29)28(2)21(30)12-16/h6,8-10,13,16,24H,3-5,7,11-12H2,1-2H3,(H,25,27)(H,26,31).
What are the key properties of N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide?
N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 143568050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).